2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile

C104H106F12N36 — CID 158692126

IUPAC2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc(NC2CCN(C)C2)nc1.CCN(CCN(C)C)c1ccc([C@@H](C)Nc2ncc(C#N)c(-c3c[nH]c4ncc(C(F)(F)F)cc34)n2)cn1.C[C@@H](Nc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc(N(C)C2CCN(C)C2)nc1.C[C@@H](Nc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc(N2CCC(N(C)C)CC2)nc1
InChIInChI=1S/C27H28F3N9.C26H26F3N9.C26H28F3N9.C25H24F3N9/c1-16(17-4-5-23(32-12-17)39-8-6-20(7-9-39)38(2)3)36-26-35-13-18(11-31)24(37-26)22-15-34-25-21(22)10-19(14-33-25)27(28,29)30;1-15(16-4-5-22(31-10-16)38(3)19-6-7-37(2)14-19)35-25-34-11-17(9-30)23(36-25)21-13-33-24-20(21)8-18(12-32-24)26(27,28)29;1-5-38(9-8-37(3)4)22-7-6-17(12-31-22)16(2)35-25-34-13-18(11-30)23(36-25)21-15-33-24-20(21)10-19(14-32-24)26(27,28)29;1-14(15-3-4-21(30-9-15)35-18-5-6-37(2)13-18)34-24-33-10-16(8-29)22(36-24)20-12-32-23-19(20)7-17(11-31-23)25(26,27)28/h4-5,10,12-16,20H,6-9H2,1-3H3,(H,33,34)(H,35,36,37);4-5,8,10-13,15,19H,6-7,14H2,1-3H3,(H,32,33)(H,34,35,36);6-7,10,12-16H,5,8-9H2,1-4H3,(H,32,33)(H,34,35,36);3-4,7,9-12,14,18H,5-6,13H2,1-2H3,(H,30,35)(H,31,32)(H,33,34,36)/t16-;15-,19?;16-;/m111./s1
InChIKeyIGMFWSULXSUCEF-FUCASWMKSA-N
MW2088.22 g/mol
LogP19.09
Rot. Bonds27

About 2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile

2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile (PubChem CID 158692126) has the molecular formula C104H106F12N36 and a molecular weight of 2088.22 g/mol. Its IUPAC name is 2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
PubChem CID158692126
Molecular FormulaC104H106F12N36
Molecular Weight2088.22 g/mol
Exact Mass2086.92
IUPAC Name2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc(NC2CCN(C)C2)nc1.CCN(CCN(C)C)c1ccc([C@@H](C)Nc2ncc(C#N)c(-c3c[nH]c4ncc(C(F)(F)F)cc34)n2)cn1.C[C@@H](Nc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc(N(C)C2CCN(C)C2)nc1.C[C@@H](Nc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc(N2CCC(N(C)C)CC2)nc1
InChIInChI=1S/C27H28F3N9.C26H26F3N9.C26H28F3N9.C25H24F3N9/c1-16(17-4-5-23(32-12-17)39-8-6-20(7-9-39)38(2)3)36-26-35-13-18(11-31)24(37-26)22-15-34-25-21(22)10-19(14-33-25)27(28,29)30;1-15(16-4-5-22(31-10-16)38(3)19-6-7-37(2)14-19)35-25-34-11-17(9-30)23(36-25)21-13-33-24-20(21)8-18(12-32-24)26(27,28)29;1-5-38(9-8-37(3)4)22-7-6-17(12-31-22)16(2)35-25-34-13-18(11-30)23(36-25)21-15-33-24-20(21)10-19(14-32-24)26(27,28)29;1-14(15-3-4-21(30-9-15)35-18-5-6-37(2)13-18)34-24-33-10-16(8-29)22(36-24)20-12-32-23-19(20)7-17(11-31-23)25(26,27)28/h4-5,10,12-16,20H,6-9H2,1-3H3,(H,33,34)(H,35,36,37);4-5,8,10-13,15,19H,6-7,14H2,1-3H3,(H,32,33)(H,34,35,36);6-7,10,12-16H,5,8-9H2,1-4H3,(H,32,33)(H,34,35,36);3-4,7,9-12,14,18H,5-6,13H2,1-2H3,(H,30,35)(H,31,32)(H,33,34,36)/t16-;15-,19?;16-;/m111./s1
InChIKeyIGMFWSULXSUCEF-FUCASWMKSA-N
XLogP19.09
TPSA447.39 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds27
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002088.22
LogP ≤ 519.09
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Analyze 2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

4-[(1S,4S)-5-(3-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-5-carbonitrile
CID 155649685
4-[(1S,4S)-5-(3-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidine-5-carbonitrile
CID 155649691
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 166629041
5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 166635936
5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]pyrimidin-2-amine
CID 67199021
cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(2-trifluoromethyl-pyridin-4-yl)-1H-imidazol-2-yl]-3-fluoro-piperidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 86268400
US10399987, Example 7
CID 126537759
4-[2-[[5-[(4-Ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 137497382
3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 142751761
3-[5-ethyl-2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 145444352
1-methyl-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 162676034
4-[4-(4-methyl-5-phenyl-1H-imidazol-2-yl)-1-piperidyl]-6-(2-pyrrolidin-1-yl-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413835

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile (CID 158692126) is 2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile is CC(Nc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc(NC2CCN(C)C2)nc1.CCN(CCN(C)C)c1ccc([C@@H](C)Nc2ncc(C#N)c(-c3c[nH]c4ncc(C(F)(F)F)cc34)n2)cn1.C[C@@H](Nc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc(N(C)C2CCN(C)C2)nc1.C[C@@H](Nc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc(N2CCC(N(C)C)CC2)nc1.
What is the InChIKey of 2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile?
The InChIKey is IGMFWSULXSUCEF-FUCASWMKSA-N. The full InChI is InChI=1S/C27H28F3N9.C26H26F3N9.C26H28F3N9.C25H24F3N9/c1-16(17-4-5-23(32-12-17)39-8-6-20(7-9-39)38(2)3)36-26-35-13-18(11-31)24(37-26)22-15-34-25-21(22)10-19(14-33-25)27(28,29)30;1-15(16-4-5-22(31-10-16)38(3)19-6-7-37(2)14-19)35-25-34-11-17(9-30)23(36-25)21-13-33-24-20(21)8-18(12-32-24)26(27,28)29;1-5-38(9-8-37(3)4)22-7-6-17(12-31-22)16(2)35-25-34-13-18(11-30)23(36-25)21-15-33-24-20(21)10-19(14-32-24)26(27,28)29;1-14(15-3-4-21(30-9-15)35-18-5-6-37(2)13-18)34-24-33-10-16(8-29)22(36-24)20-12-32-23-19(20)7-17(11-31-23)25(26,27)28/h4-5,10,12-16,20H,6-9H2,1-3H3,(H,33,34)(H,35,36,37);4-5,8,10-13,15,19H,6-7,14H2,1-3H3,(H,32,33)(H,34,35,36);6-7,10,12-16H,5,8-9H2,1-4H3,(H,32,33)(H,34,35,36);3-4,7,9-12,14,18H,5-6,13H2,1-2H3,(H,30,35)(H,31,32)(H,33,34,36)/t16-;15-,19?;16-;/m111./s1.
What are the key properties of 2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile?
2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile has a molecular weight of 2088.22 g/mol, XLogP of 19.09, 27 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-ethylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 158692126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).