1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C21H31N5O — CID 120553732

IUPAC1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCNCC3C)c12
InChIInChI=1S/C21H31N5O/c1-12-11-22-9-8-16(12)24-20(27)15-10-17(14-6-7-14)23-19-18(15)13(2)25-26(19)21(3,4)5/h10,12,14,16,22H,6-9,11H2,1-5H3,(H,24,27)
InChIKeyTYYVCJWZSRYDBP-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.10
Rot. Bonds3

About 1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 120553732) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID120553732
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCNCC3C)c12
InChIInChI=1S/C21H31N5O/c1-12-11-22-9-8-16(12)24-20(27)15-10-17(14-6-7-14)23-19-18(15)13(2)25-26(19)21(3,4)5/h10,12,14,16,22H,6-9,11H2,1-5H3,(H,24,27)
InChIKeyTYYVCJWZSRYDBP-UHFFFAOYSA-N
XLogP3.10
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 120553732) is 1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCNCC3C)c12.
What is the InChIKey of 1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is TYYVCJWZSRYDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-12-11-22-9-8-16(12)24-20(27)15-10-17(14-6-7-14)23-19-18(15)13(2)25-26(19)21(3,4)5/h10,12,14,16,22H,6-9,11H2,1-5H3,(H,24,27).
What are the key properties of 1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.10, 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-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 120553732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).