6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H28N6O — CID 51854055

IUPAC6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc([C@@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c(C)n1
InChIInChI=1S/C25H28N6O/c1-5-30-14-21(16(3)28-30)15(2)26-25(32)20-13-22(18-11-12-18)27-24-23(20)17(4)29-31(24)19-9-7-6-8-10-19/h6-10,13-15,18H,5,11-12H2,1-4H3,(H,26,32)/t15-/m1/s1
InChIKeyXXGXZIQDGKSRML-OAHLLOKOSA-N
MW428.54 g/mol
LogP4.62
Rot. Bonds6

About 6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51854055) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID51854055
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc([C@@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c(C)n1
InChIInChI=1S/C25H28N6O/c1-5-30-14-21(16(3)28-30)15(2)26-25(32)20-13-22(18-11-12-18)27-24-23(20)17(4)29-31(24)19-9-7-6-8-10-19/h6-10,13-15,18H,5,11-12H2,1-4H3,(H,26,32)/t15-/m1/s1
InChIKeyXXGXZIQDGKSRML-OAHLLOKOSA-N
XLogP4.62
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 51854055) is 6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1cc([C@@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c(C)n1.
What is the InChIKey of 6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XXGXZIQDGKSRML-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H28N6O/c1-5-30-14-21(16(3)28-30)15(2)26-25(32)20-13-22(18-11-12-18)27-24-23(20)17(4)29-31(24)19-9-7-6-8-10-19/h6-10,13-15,18H,5,11-12H2,1-4H3,(H,26,32)/t15-/m1/s1.
What are the key properties of 6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51854055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).