N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C29H37N7O2 — CID 77465607

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNCCN(C)Cc1ccc(-c2cc(C(=O)NCC3C(=O)N=C(C)C=C3C)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C29H37N7O2/c1-18(2)36-27-25(16-32-36)23(28(37)31-15-24-19(3)13-20(4)33-29(24)38)14-26(34-27)22-9-7-21(8-10-22)17-35(6)12-11-30-5/h7-10,13-14,16,18,24,30H,11-12,15,17H2,1-6H3,(H,31,37)
InChIKeyJQOATNUXYJQIIA-UHFFFAOYSA-N
MW515.66 g/mol
LogP3.62
Rot. Bonds10

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 77465607) has the molecular formula C29H37N7O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID77465607
Molecular FormulaC29H37N7O2
Molecular Weight515.66 g/mol
Exact Mass515.30
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNCCN(C)Cc1ccc(-c2cc(C(=O)NCC3C(=O)N=C(C)C=C3C)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C29H37N7O2/c1-18(2)36-27-25(16-32-36)23(28(37)31-15-24-19(3)13-20(4)33-29(24)38)14-26(34-27)22-9-7-21(8-10-22)17-35(6)12-11-30-5/h7-10,13-14,16,18,24,30H,11-12,15,17H2,1-6H3,(H,31,37)
InChIKeyJQOATNUXYJQIIA-UHFFFAOYSA-N
XLogP3.62
TPSA104.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bms-582949
CID 10409068
Eganelisib
CID 91933883
Selitrectinib
CID 129103609
Y-39983
CID 11507964
Solcitinib
CID 44603362
4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
CID 11576569
CID 11576569
6-(6-(4-(2-(2-(Adamantan-1-yl)acetamido)ethyl)piperazin-1-yl)pyridin-3-yl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-1H-indazole-4-carboxamide
CID 139211327
Gsk 343
CID 71268957
Discontinued See A191400
CID 71450146
Unc1999
CID 72551585
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 77465607) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CNCCN(C)Cc1ccc(-c2cc(C(=O)NCC3C(=O)N=C(C)C=C3C)c3cnn(C(C)C)c3n2)cc1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JQOATNUXYJQIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O2/c1-18(2)36-27-25(16-32-36)23(28(37)31-15-24-19(3)13-20(4)33-29(24)38)14-26(34-27)22-9-7-21(8-10-22)17-35(6)12-11-30-5/h7-10,13-14,16,18,24,30H,11-12,15,17H2,1-6H3,(H,31,37).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 515.66 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 77465607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).