4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide

C26H30F2N6O — CID 175758774

IUPAC4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N[C@H](C)c2cccc3c2CCC3(F)F)c2cc(C(=O)N(C)C)c(N3CCCC3)nc2n1
InChIInChI=1S/C26H30F2N6O/c1-15(17-8-7-9-21-18(17)10-11-26(21,27)28)29-22-19-14-20(25(35)33(3)4)24(34-12-5-6-13-34)32-23(19)31-16(2)30-22/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,29,30,31,32)/t15-/m1/s1
InChIKeyZIYHIHBDBQZEEB-OAHLLOKOSA-N
MW480.56 g/mol
LogP4.85
Rot. Bonds5

About 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide

4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 175758774) has the molecular formula C26H30F2N6O and a molecular weight of 480.56 g/mol. Its IUPAC name is 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID175758774
Molecular FormulaC26H30F2N6O
Molecular Weight480.56 g/mol
Exact Mass480.24
IUPAC Name4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N[C@H](C)c2cccc3c2CCC3(F)F)c2cc(C(=O)N(C)C)c(N3CCCC3)nc2n1
InChIInChI=1S/C26H30F2N6O/c1-15(17-8-7-9-21-18(17)10-11-26(21,27)28)29-22-19-14-20(25(35)33(3)4)24(34-12-5-6-13-34)32-23(19)31-16(2)30-22/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,29,30,31,32)/t15-/m1/s1
InChIKeyZIYHIHBDBQZEEB-OAHLLOKOSA-N
XLogP4.85
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

4-[[(1R)-1-[3-(1,1-difluoroethyl)-5-nitrophenyl]ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 175758732
6-(1-azabicyclo[2.2.1]heptan-4-yl)-4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-2,8-dimethylpyrido[4,3-d]pyrimidin-7-one
CID 138750814
1-[4-[10-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-12-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-7-yl]piperidin-1-yl]ethanone
CID 164917124
N-[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]-6-dimethylphosphoryl-7-methoxy-2-methylquinazolin-4-amine
CID 167166071
N,N,2-trimethyl-4-methylsulfanyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 175758696
6-(1-azabicyclo[2.2.1]heptan-4-yl)-8-bromo-4-[1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethylamino]-2-methylpyrido[4,3-d]pyrimidin-7-one
CID 170064118
5-[4-[1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethylamino]-2,7-dimethylpyrazolo[3,4-h]quinazolin-6-yl]-1-methylpyridin-2-one
CID 174222710
N-[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]-7-(3,6-dihydro-2H-pyran-4-yl)-12-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-10-amine
CID 171415405
(2R)-1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-(dimethylcarbamoyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]azetidine-2-carboxylic acid
CID 172705622
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-prop-1-en-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine
CID 172777093
tert-butyl 3-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-(dimethylcarbamoyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 172839751
2-[6-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]-N-(2-tricyclo[2.1.0.02,5]pentanyl)acetamide
CID 155479357

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 175758774) is 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide is Cc1nc(N[C@H](C)c2cccc3c2CCC3(F)F)c2cc(C(=O)N(C)C)c(N3CCCC3)nc2n1.
What is the InChIKey of 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZIYHIHBDBQZEEB-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H30F2N6O/c1-15(17-8-7-9-21-18(17)10-11-26(21,27)28)29-22-19-14-20(25(35)33(3)4)24(34-12-5-6-13-34)32-23(19)31-16(2)30-22/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,29,30,31,32)/t15-/m1/s1.
What are the key properties of 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 480.56 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 175758774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).