1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C21H33Cl2N5O — CID 119464534

IUPAC1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCC3CCCNC3)c12.Cl.Cl
InChIInChI=1S/C21H31N5O.2ClH/c1-13-18-16(20(27)23-12-14-6-5-9-22-11-14)10-17(15-7-8-15)24-19(18)26(25-13)21(2,3)4;;/h10,14-15,22H,5-9,11-12H2,1-4H3,(H,23,27);2*1H
InChIKeyIVZFWYMILDQIIY-UHFFFAOYSA-N
MW442.44 g/mol
LogP3.95
Rot. Bonds4

About 1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119464534) has the molecular formula C21H33Cl2N5O and a molecular weight of 442.44 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID119464534
Molecular FormulaC21H33Cl2N5O
Molecular Weight442.44 g/mol
Exact Mass441.21
IUPAC Name1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCC3CCCNC3)c12.Cl.Cl
InChIInChI=1S/C21H31N5O.2ClH/c1-13-18-16(20(27)23-12-14-6-5-9-22-11-14)10-17(15-7-8-15)24-19(18)26(25-13)21(2,3)4;;/h10,14-15,22H,5-9,11-12H2,1-4H3,(H,23,27);2*1H
InChIKeyIVZFWYMILDQIIY-UHFFFAOYSA-N
XLogP3.95
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 119514669
1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 120553732
N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119478999
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119459503
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398868
1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55759790
1-tert-butyl-3-methyl-6-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 119536214
1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460247
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119542339
1-tert-butyl-6-cyclopropyl-3-methyl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55818624
methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate
CID 55755035
2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 120701970

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119464534) is 1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCC3CCCNC3)c12.Cl.Cl.
What is the InChIKey of 1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is IVZFWYMILDQIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O.2ClH/c1-13-18-16(20(27)23-12-14-6-5-9-22-11-14)10-17(15-7-8-15)24-19(18)26(25-13)21(2,3)4;;/h10,14-15,22H,5-9,11-12H2,1-4H3,(H,23,27);2*1H.
What are the key properties of 1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 442.44 g/mol, XLogP of 3.95, 4 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-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119464534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).