5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

C26H33ClN6O2 — CID 130460274

IUPAC5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2c(Cl)c(C3=CC(C)NC(C)(C)C3)nc3c2cnn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C26H33ClN6O2/c1-13(2)33-23-19(12-29-33)20(25(35)28-11-18-14(3)8-15(4)30-24(18)34)21(27)22(31-23)17-9-16(5)32-26(6,7)10-17/h8-9,12-13,16,32H,10-11H2,1-7H3,(H,28,35)(H,30,34)
InChIKeyJRAJFGBVHOYJBD-UHFFFAOYSA-N
MW497.04 g/mol
LogP4.44
Rot. Bonds5

About 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 130460274) has the molecular formula C26H33ClN6O2 and a molecular weight of 497.04 g/mol. Its IUPAC name is 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID130460274
Molecular FormulaC26H33ClN6O2
Molecular Weight497.04 g/mol
Exact Mass496.24
IUPAC Name5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2c(Cl)c(C3=CC(C)NC(C)(C)C3)nc3c2cnn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C26H33ClN6O2/c1-13(2)33-23-19(12-29-33)20(25(35)28-11-18-14(3)8-15(4)30-24(18)34)21(27)22(31-23)17-9-16(5)32-26(6,7)10-17/h8-9,12-13,16,32H,10-11H2,1-7H3,(H,28,35)(H,30,34)
InChIKeyJRAJFGBVHOYJBD-UHFFFAOYSA-N
XLogP4.44
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.04
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56597425
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56598144
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 56597559
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86703436
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide
CID 130460223
6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 121322634
3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 134335489
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 85471901
3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 129083280
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-propan-2-ylindole-3-carboxamide
CID 122186508
2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one
CID 130207434
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 95975932

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 130460274) is 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C)c(CNC(=O)c2c(Cl)c(C3=CC(C)NC(C)(C)C3)nc3c2cnn3C(C)C)c(=O)[nH]1.
What is the InChIKey of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is JRAJFGBVHOYJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN6O2/c1-13(2)33-23-19(12-29-33)20(25(35)28-11-18-14(3)8-15(4)30-24(18)34)21(27)22(31-23)17-9-16(5)32-26(6,7)10-17/h8-9,12-13,16,32H,10-11H2,1-7H3,(H,28,35)(H,30,34).
What are the key properties of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 497.04 g/mol, XLogP of 4.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 130460274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).