N-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine

C23H28F3N7O — CID 167141940

IUPACN-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1(C)CCC(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4nc(N5CCOCC5)ccc34)n2)CN1
InChIInChI=1S/C23H28F3N7O/c1-22(2)6-5-14(11-29-22)30-21-28-13-17(23(24,25)26)19(32-21)16-12-27-20-15(16)3-4-18(31-20)33-7-9-34-10-8-33/h3-4,12-14,29H,5-11H2,1-2H3,(H,27,31)(H,28,30,32)
InChIKeyYQEVZUQUPVKMMC-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.82
Rot. Bonds4

About N-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine

N-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 167141940) has the molecular formula C23H28F3N7O and a molecular weight of 475.52 g/mol. Its IUPAC name is N-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID167141940
Molecular FormulaC23H28F3N7O
Molecular Weight475.52 g/mol
Exact Mass475.23
IUPAC NameN-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1(C)CCC(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4nc(N5CCOCC5)ccc34)n2)CN1
InChIInChI=1S/C23H28F3N7O/c1-22(2)6-5-14(11-29-22)30-21-28-13-17(23(24,25)26)19(32-21)16-12-27-20-15(16)3-4-18(31-20)33-7-9-34-10-8-33/h3-4,12-14,29H,5-11H2,1-2H3,(H,27,31)(H,28,30,32)
InChIKeyYQEVZUQUPVKMMC-UHFFFAOYSA-N
XLogP3.82
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Related Compounds

N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[6-[(3S)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 164544562
2-[[4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-8-azaspiro[4.5]decan-4-one
CID 164544641
3-methyl-1-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrrolidin-3-ol
CID 167142654
4-[6-[(3S)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 167145511
1-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]piperidine-4-carbonitrile
CID 167141952
[1-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]methanol
CID 164544558
4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 170710859
3-[2-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carbonitrile
CID 142751806
4-[6-[(3S)-3-ethylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 167142489
3-[2-[(6,6-dimethylpiperidin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-1,4,5,6-tetrahydropyrrolo[2,3-c]azepin-8-one
CID 171102751
4-(5-fluoro-6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine
CID 167142621
methyl N-[3-[2-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-7-methoxy-1H-indol-6-yl]carbamate
CID 169428955

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 167141940) is N-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine is CC1(C)CCC(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4nc(N5CCOCC5)ccc34)n2)CN1.
What is the InChIKey of N-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YQEVZUQUPVKMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N7O/c1-22(2)6-5-14(11-29-22)30-21-28-13-17(23(24,25)26)19(32-21)16-12-27-20-15(16)3-4-18(31-20)33-7-9-34-10-8-33/h3-4,12-14,29H,5-11H2,1-2H3,(H,27,31)(H,28,30,32).
What are the key properties of N-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
N-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 475.52 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethylpiperidin-3-yl)-4-(6-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 167141940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).