1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide

C27H27FN4O — CID 46091353

IUPAC1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1cc(C(=O)NC2CCC(C)CC2)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1
InChIInChI=1S/C27H27FN4O/c1-17-11-13-21(14-12-17)29-27(33)23-15-18(2)24-25(19-7-4-3-5-8-19)31-32(26(24)30-23)22-10-6-9-20(28)16-22/h3-10,15-17,21H,11-14H2,1-2H3,(H,29,33)
InChIKeyTWJRPAQGJWDPFA-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.84
Rot. Bonds4

About 1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide

1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 46091353) has the molecular formula C27H27FN4O and a molecular weight of 442.54 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID46091353
Molecular FormulaC27H27FN4O
Molecular Weight442.54 g/mol
Exact Mass442.22
IUPAC Name1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1cc(C(=O)NC2CCC(C)CC2)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1
InChIInChI=1S/C27H27FN4O/c1-17-11-13-21(14-12-17)29-27(33)23-15-18(2)24-25(19-7-4-3-5-8-19)31-32(26(24)30-23)22-10-6-9-20(28)16-22/h3-10,15-17,21H,11-14H2,1-2H3,(H,29,33)
InChIKeyTWJRPAQGJWDPFA-UHFFFAOYSA-N
XLogP5.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 46091353) is 1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide is Cc1cc(C(=O)NC2CCC(C)CC2)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is TWJRPAQGJWDPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O/c1-17-11-13-21(14-12-17)29-27(33)23-15-18(2)24-25(19-7-4-3-5-8-19)31-32(26(24)30-23)22-10-6-9-20(28)16-22/h3-10,15-17,21H,11-14H2,1-2H3,(H,29,33).
What are the key properties of 1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-methyl-N-(4-methylcyclohexyl)-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 46091353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).