6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H24ClN5O2 — CID 121322634

IUPAC6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)nc2c1cnn2C(C)C
InChIInChI=1S/C20H24ClN5O2/c1-5-6-13-7-12(4)24-20(28)15(13)9-22-19(27)14-8-17(21)25-18-16(14)10-23-26(18)11(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,22,27)(H,24,28)
InChIKeyBXPWCBZFCMCIMB-UHFFFAOYSA-N
MW401.90 g/mol
LogP3.54
Rot. Bonds6

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

6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 121322634) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID121322634
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)nc2c1cnn2C(C)C
InChIInChI=1S/C20H24ClN5O2/c1-5-6-13-7-12(4)24-20(28)15(13)9-22-19(27)14-8-17(21)25-18-16(14)10-23-26(18)11(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,22,27)(H,24,28)
InChIKeyBXPWCBZFCMCIMB-UHFFFAOYSA-N
XLogP3.54
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 53.54
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-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-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide
CID 54596692
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 158656343
6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 54597298
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-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
CID 86278384
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
3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 158656342
6-cyclopropylsulfonyl-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 54596496
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-methyl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide
CID 67468458
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide
CID 122448431
N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
CID 155556614

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is 6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)nc2c1cnn2C(C)C.
What is the InChIKey of 6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BXPWCBZFCMCIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-5-6-13-7-12(4)24-20(28)15(13)9-22-19(27)14-8-17(21)25-18-16(14)10-23-26(18)11(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,22,27)(H,24,28).
What are the key properties of 6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 401.90 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 121322634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).