6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C24H25N7O — CID 52555857

IUPAC6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3nc4ccccc4nc3N3CCCC3)c12
InChIInChI=1S/C24H25N7O/c1-14-20-16(13-19(15-9-10-15)27-22(20)30(2)29-14)24(32)28-21-23(31-11-5-6-12-31)26-18-8-4-3-7-17(18)25-21/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,25,28,32)
InChIKeyUNWVYMMZCGPQMB-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.95
Rot. Bonds4

About 6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 52555857) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID52555857
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3nc4ccccc4nc3N3CCCC3)c12
InChIInChI=1S/C24H25N7O/c1-14-20-16(13-19(15-9-10-15)27-22(20)30(2)29-14)24(32)28-21-23(31-11-5-6-12-31)26-18-8-4-3-7-17(18)25-21/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,25,28,32)
InChIKeyUNWVYMMZCGPQMB-UHFFFAOYSA-N
XLogP3.95
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 52555857) is 6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3nc4ccccc4nc3N3CCCC3)c12.
What is the InChIKey of 6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UNWVYMMZCGPQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-14-20-16(13-19(15-9-10-15)27-22(20)30(2)29-14)24(32)28-21-23(31-11-5-6-12-31)26-18-8-4-3-7-17(18)25-21/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,25,28,32).
What are the key properties of 6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 52555857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).