1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C17H25N5O — CID 119510814

IUPAC1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCC(C)n1ncc2c(C(=O)NCC3CCCN3)cc(C)nc21
InChIInChI=1S/C17H25N5O/c1-4-12(3)22-16-15(10-20-22)14(8-11(2)21-16)17(23)19-9-13-6-5-7-18-13/h8,10,12-13,18H,4-7,9H2,1-3H3,(H,19,23)
InChIKeyDENLOUDHNVTQPM-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.19
Rot. Bonds5

About 1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 119510814) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID119510814
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCC(C)n1ncc2c(C(=O)NCC3CCCN3)cc(C)nc21
InChIInChI=1S/C17H25N5O/c1-4-12(3)22-16-15(10-20-22)14(8-11(2)21-16)17(23)19-9-13-6-5-7-18-13/h8,10,12-13,18H,4-7,9H2,1-3H3,(H,19,23)
InChIKeyDENLOUDHNVTQPM-UHFFFAOYSA-N
XLogP2.19
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

1-butan-2-yl-6-methyl-N-(piperidin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 119460822
1-butan-2-yl-6-methyl-N-[2-(methylamino)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120831658
N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119997513
1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 28842366
1-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530906
2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545797
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429817
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560611
6-methyl-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119555058
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110921318
6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 56714235
(2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363231

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 119510814) is 1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is CCC(C)n1ncc2c(C(=O)NCC3CCCN3)cc(C)nc21.
What is the InChIKey of 1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is DENLOUDHNVTQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-12(3)22-16-15(10-20-22)14(8-11(2)21-16)17(23)19-9-13-6-5-7-18-13/h8,10,12-13,18H,4-7,9H2,1-3H3,(H,19,23).
What are the key properties of 1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119510814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).