1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H31N5O2 — CID 55786267

IUPAC1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C
InChIInChI=1S/C26H31N5O2/c1-14-6-7-17(24(32)27-18-10-11-18)12-20(14)29-25(33)19-13-21(16-8-9-16)28-23-22(19)15(2)30-31(23)26(3,4)5/h6-7,12-13,16,18H,8-11H2,1-5H3,(H,27,32)(H,29,33)
InChIKeyRIBCYUXGCITOOU-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.83
Rot. Bonds5

About 1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55786267) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55786267
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C
InChIInChI=1S/C26H31N5O2/c1-14-6-7-17(24(32)27-18-10-11-18)12-20(14)29-25(33)19-13-21(16-8-9-16)28-23-22(19)15(2)30-31(23)26(3,4)5/h6-7,12-13,16,18H,8-11H2,1-5H3,(H,27,32)(H,29,33)
InChIKeyRIBCYUXGCITOOU-UHFFFAOYSA-N
XLogP4.83
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55756167
N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119478999
1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55818593
N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119421790
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-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55762394
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-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55782732
tert-butyl N-[5-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-2-fluorophenyl]carbamate
CID 55801961
1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 94241436
1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 120553732
1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55779621

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55786267) is 1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RIBCYUXGCITOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-14-6-7-17(24(32)27-18-10-11-18)12-20(14)29-25(33)19-13-21(16-8-9-16)28-23-22(19)15(2)30-31(23)26(3,4)5/h6-7,12-13,16,18H,8-11H2,1-5H3,(H,27,32)(H,29,33).
What are the key properties of 1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 4.83, 5 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-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55786267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).