6-cyclopropyl-1-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C21H20N6O — CID 44822495

IUPAC6-cyclopropyl-1-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C)cc1
InChIInChI=1S/C21H20N6O/c1-13-22-9-10-27(13)16-7-5-15(6-8-16)24-21(28)17-11-19(14-3-4-14)25-20-18(17)12-23-26(20)2/h5-12,14H,3-4H2,1-2H3,(H,24,28)
InChIKeyQKDCHRXQQUPKEK-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.59
Rot. Bonds4

About 6-cyclopropyl-1-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-1-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44822495) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-cyclopropyl-1-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44822495
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name6-cyclopropyl-1-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C)cc1
InChIInChI=1S/C21H20N6O/c1-13-22-9-10-27(13)16-7-5-15(6-8-16)24-21(28)17-11-19(14-3-4-14)25-20-18(17)12-23-26(20)2/h5-12,14H,3-4H2,1-2H3,(H,24,28)
InChIKeyQKDCHRXQQUPKEK-UHFFFAOYSA-N
XLogP3.59
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.59
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-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 44822495) is 6-cyclopropyl-1-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nccn1-c1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C)cc1.
What is the InChIKey of 6-cyclopropyl-1-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QKDCHRXQQUPKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-13-22-9-10-27(13)16-7-5-15(6-8-16)24-21(28)17-11-19(14-3-4-14)25-20-18(17)12-23-26(20)2/h5-12,14H,3-4H2,1-2H3,(H,24,28).
What are the key properties of 6-cyclopropyl-1-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.59, 4 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-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44822495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).