4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine

C35H32F3N13O — CID 174225279

IUPAC4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCn1cc(Nc2cc3[nH]c(-c4ccnc(C#N)c4)cc3cn2)cn1.FC(F)(F)CNc1nccc(-c2cc3cnc(NC4CCOCC4)cc3[nH]2)n1
InChIInChI=1S/C18H19F3N6O.C17H13N7/c19-18(20,21)10-24-17-22-4-1-13(27-17)15-7-11-9-23-16(8-14(11)26-15)25-12-2-5-28-6-3-12;1-24-10-14(9-21-24)22-17-6-16-12(8-20-17)5-15(23-16)11-2-3-19-13(4-11)7-18/h1,4,7-9,12,26H,2-3,5-6,10H2,(H,23,25)(H,22,24,27);2-6,8-10,23H,1H3,(H,20,22)
InChIKeyVWZABIQQZCXFLB-UHFFFAOYSA-N
MW707.73 g/mol
LogP6.56
Rot. Bonds8

About 4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine

4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 174225279) has the molecular formula C35H32F3N13O and a molecular weight of 707.73 g/mol. Its IUPAC name is 4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
PubChem CID174225279
Molecular FormulaC35H32F3N13O
Molecular Weight707.73 g/mol
Exact Mass707.28
IUPAC Name4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCn1cc(Nc2cc3[nH]c(-c4ccnc(C#N)c4)cc3cn2)cn1.FC(F)(F)CNc1nccc(-c2cc3cnc(NC4CCOCC4)cc3[nH]2)n1
InChIInChI=1S/C18H19F3N6O.C17H13N7/c19-18(20,21)10-24-17-22-4-1-13(27-17)15-7-11-9-23-16(8-14(11)26-15)25-12-2-5-28-6-3-12;1-24-10-14(9-21-24)22-17-6-16-12(8-20-17)5-15(23-16)11-2-3-19-13(4-11)7-18/h1,4,7-9,12,26H,2-3,5-6,10H2,(H,23,25)(H,22,24,27);2-6,8-10,23H,1H3,(H,20,22)
InChIKeyVWZABIQQZCXFLB-UHFFFAOYSA-N
XLogP6.56
TPSA182.96 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500707.73
LogP ≤ 56.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of 4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine (CID 174225279) is 4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for 4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine is Cn1cc(Nc2cc3[nH]c(-c4ccnc(C#N)c4)cc3cn2)cn1.FC(F)(F)CNc1nccc(-c2cc3cnc(NC4CCOCC4)cc3[nH]2)n1.
What is the InChIKey of 4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is VWZABIQQZCXFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O.C17H13N7/c19-18(20,21)10-24-17-22-4-1-13(27-17)15-7-11-9-23-16(8-14(11)26-15)25-12-2-5-28-6-3-12;1-24-10-14(9-21-24)22-17-6-16-12(8-20-17)5-15(23-16)11-2-3-19-13(4-11)7-18/h1,4,7-9,12,26H,2-3,5-6,10H2,(H,23,25)(H,22,24,27);2-6,8-10,23H,1H3,(H,20,22).
What are the key properties of 4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 707.73 g/mol, XLogP of 6.56, 8 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile;N-(oxan-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 174225279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).