6-chloro-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C19H20ClN5O2 — CID 89444901

IUPAC6-chloro-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Cl)nc3c2c(C)nn3C2CC2)c(=O)[nH]1
InChIInChI=1S/C19H20ClN5O2/c1-9-6-10(2)22-19(27)14(9)8-21-18(26)13-7-15(20)23-17-16(13)11(3)24-25(17)12-4-5-12/h6-7,12H,4-5,8H2,1-3H3,(H,21,26)(H,22,27)
InChIKeyJLDNKAGMQQPVLA-UHFFFAOYSA-N
MW385.86 g/mol
LogP2.96
Rot. Bonds4

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

6-chloro-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 89444901) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 6-chloro-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID89444901
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name6-chloro-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Cl)nc3c2c(C)nn3C2CC2)c(=O)[nH]1
InChIInChI=1S/C19H20ClN5O2/c1-9-6-10(2)22-19(27)14(9)8-21-18(26)13-7-15(20)23-17-16(13)11(3)24-25(17)12-4-5-12/h6-7,12H,4-5,8H2,1-3H3,(H,21,26)(H,22,27)
InChIKeyJLDNKAGMQQPVLA-UHFFFAOYSA-N
XLogP2.96
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9269197
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxypropyl)propanamide
CID 16008428
N-[2-(4-Chlorophenyl)ethyl]-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamide
CID 16012484
6-Cyclopropyl-N-(2-(dimethylamino)ethyl)-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 9503864
1-(1-Methylethyl)-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)methyl]-6-(4-pyridinyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 56597562
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 68295468
6-cyclopropyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78791029
6-bromo-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 86703409
N-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119382070
6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119499985
6-cyclopropyl-N-[3-(dimethylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 133934440
N-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166626433

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-chloro-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 89444901) is 6-chloro-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-chloro-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-chloro-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(Cl)nc3c2c(C)nn3C2CC2)c(=O)[nH]1.
What is the InChIKey of 6-chloro-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JLDNKAGMQQPVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-9-6-10(2)22-19(27)14(9)8-21-18(26)13-7-15(20)23-17-16(13)11(3)24-25(17)12-4-5-12/h6-7,12H,4-5,8H2,1-3H3,(H,21,26)(H,22,27).
What are the key properties of 6-chloro-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-chloro-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 385.86 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 89444901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).