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

C20H24ClN5O2 — CID 56597427

IUPAC1-tert-butyl-6-chloro-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)nn3C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C20H24ClN5O2/c1-10-7-11(2)23-19(28)14(10)9-22-18(27)13-8-15(21)24-17-16(13)12(3)25-26(17)20(4,5)6/h7-8H,9H2,1-6H3,(H,22,27)(H,23,28)
InChIKeyVKSDJJINVLWPPN-UHFFFAOYSA-N
MW401.90 g/mol
LogP3.38
Rot. Bonds3

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

1-tert-butyl-6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 56597427) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 1-tert-butyl-6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID56597427
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name1-tert-butyl-6-chloro-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)nn3C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C20H24ClN5O2/c1-10-7-11(2)23-19(28)14(10)9-22-18(27)13-8-15(21)24-17-16(13)12(3)25-26(17)20(4,5)6/h7-8H,9H2,1-6H3,(H,22,27)(H,23,28)
InChIKeyVKSDJJINVLWPPN-UHFFFAOYSA-N
XLogP3.38
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 56597427) is 1-tert-butyl-6-chloro-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 1-tert-butyl-6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-6-chloro-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)nn3C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 1-tert-butyl-6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VKSDJJINVLWPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-10-7-11(2)23-19(28)14(10)9-22-18(27)13-8-15(21)24-17-16(13)12(3)25-26(17)20(4,5)6/h7-8H,9H2,1-6H3,(H,22,27)(H,23,28).
What are the key properties of 1-tert-butyl-6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 401.90 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 56597427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).