6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C27H22N6O2S — CID 60611646

IUPAC6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)c12
InChIInChI=1S/C27H22N6O2S/c1-16-24-20(15-21(17-7-8-17)31-25(24)33(32-16)23-6-2-3-13-28-23)26(34)29-18-9-11-19(12-10-18)30-27(35)22-5-4-14-36-22/h2-6,9-15,17H,7-8H2,1H3,(H,29,34)(H,30,35)
InChIKeyCBGYOFQSPQFRET-UHFFFAOYSA-N
MW494.58 g/mol
LogP5.57
Rot. Bonds6

About 6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60611646) has the molecular formula C27H22N6O2S and a molecular weight of 494.58 g/mol. Its IUPAC name is 6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID60611646
Molecular FormulaC27H22N6O2S
Molecular Weight494.58 g/mol
Exact Mass494.15
IUPAC Name6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)c12
InChIInChI=1S/C27H22N6O2S/c1-16-24-20(15-21(17-7-8-17)31-25(24)33(32-16)23-6-2-3-13-28-23)26(34)29-18-9-11-19(12-10-18)30-27(35)22-5-4-14-36-22/h2-6,9-15,17H,7-8H2,1H3,(H,29,34)(H,30,35)
InChIKeyCBGYOFQSPQFRET-UHFFFAOYSA-N
XLogP5.57
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.58
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Indiplon
CID 6450813
US10100058, Example 145
CID 134540190
Lorediplon
CID 12004146
N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 2409032
N-[(1R,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]thiophene-3-carboxamide
CID 89913832
US10100058, Example 162
CID 134539487
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 211
CID 134539877
US10100058, Example 229
CID 134539886
US10100058, Example 141
CID 134539903
US10100058, Example 105
CID 134540034

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 60611646) is 6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)c12.
What is the InChIKey of 6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CBGYOFQSPQFRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O2S/c1-16-24-20(15-21(17-7-8-17)31-25(24)33(32-16)23-6-2-3-13-28-23)26(34)29-18-9-11-19(12-10-18)30-27(35)22-5-4-14-36-22/h2-6,9-15,17H,7-8H2,1H3,(H,29,34)(H,30,35).
What are the key properties of 6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 494.58 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60611646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).