6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C21H20N6O — CID 44822740

IUPAC6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3ccccc3-n3cccn3)cc(C3CC3)nc21
InChIInChI=1S/C21H20N6O/c1-26-20-17(13-24-26)16(11-18(25-20)14-7-8-14)21(28)22-12-15-5-2-3-6-19(15)27-10-4-9-23-27/h2-6,9-11,13-14H,7-8,12H2,1H3,(H,22,28)
InChIKeyYDVGGJHBFPKMNE-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.96
Rot. Bonds5

About 6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44822740) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44822740
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3ccccc3-n3cccn3)cc(C3CC3)nc21
InChIInChI=1S/C21H20N6O/c1-26-20-17(13-24-26)16(11-18(25-20)14-7-8-14)21(28)22-12-15-5-2-3-6-19(15)27-10-4-9-23-27/h2-6,9-11,13-14H,7-8,12H2,1H3,(H,22,28)
InChIKeyYDVGGJHBFPKMNE-UHFFFAOYSA-N
XLogP2.96
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 44822740) is 6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCc3ccccc3-n3cccn3)cc(C3CC3)nc21.
What is the InChIKey of 6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YDVGGJHBFPKMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-26-20-17(13-24-26)16(11-18(25-20)14-7-8-14)21(28)22-12-15-5-2-3-6-19(15)27-10-4-9-23-27/h2-6,9-11,13-14H,7-8,12H2,1H3,(H,22,28).
What are the key properties of 6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44822740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).