1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C20H29N5O — CID 119514669

IUPAC1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCC3CCCN3)c12
InChIInChI=1S/C20H29N5O/c1-12-17-15(19(26)22-11-14-6-5-9-21-14)10-16(13-7-8-13)23-18(17)25(24-12)20(2,3)4/h10,13-14,21H,5-9,11H2,1-4H3,(H,22,26)
InChIKeyZFANZEUWAYGVLQ-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.85
Rot. Bonds4

About 1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119514669) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119514669
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCC3CCCN3)c12
InChIInChI=1S/C20H29N5O/c1-12-17-15(19(26)22-11-14-6-5-9-21-14)10-16(13-7-8-13)23-18(17)25(24-12)20(2,3)4/h10,13-14,21H,5-9,11H2,1-4H3,(H,22,26)
InChIKeyZFANZEUWAYGVLQ-UHFFFAOYSA-N
XLogP2.85
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.85
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-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 119514669) is 1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCC3CCCN3)c12.
What is the InChIKey of 1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZFANZEUWAYGVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-12-17-15(19(26)22-11-14-6-5-9-21-14)10-16(13-7-8-13)23-18(17)25(24-12)20(2,3)4/h10,13-14,21H,5-9,11H2,1-4H3,(H,22,26).
What are the key properties of 1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 2.85, 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-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119514669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).