1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C23H19FN4OS — CID 70935640

IUPAC1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCSc1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H19FN4OS/c1-30-18-4-2-3-15(11-18)23(9-10-23)27-22(29)20-12-25-14-21-19(20)13-26-28(21)17-7-5-16(24)6-8-17/h2-8,11-14H,9-10H2,1H3,(H,27,29)
InChIKeySBEWVZUSOORRNK-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.70
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 70935640) has the molecular formula C23H19FN4OS and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID70935640
Molecular FormulaC23H19FN4OS
Molecular Weight418.50 g/mol
Exact Mass418.13
IUPAC Name1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCSc1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H19FN4OS/c1-30-18-4-2-3-15(11-18)23(9-10-23)27-22(29)20-12-25-14-21-19(20)13-26-28(21)17-7-5-16(24)6-8-17/h2-8,11-14H,9-10H2,1H3,(H,27,29)
InChIKeySBEWVZUSOORRNK-UHFFFAOYSA-N
XLogP4.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 67115968
N-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 52917351
1-(4-fluorophenyl)-N-[1-[6-(methylamino)-3-pyridinyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 52917427
N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 52917285
N-[1-[3,6-bis(methylamino)-2-pyridinyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 67115792
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]indazole-4-carboxamide
CID 52917504
1-(4-fluorophenyl)-N-[(2R)-2-methyl-1-pyridin-4-ylcyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 143965550
1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 141264520
N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278134
1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 66727496
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138157
ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 143965573

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 70935640) is 1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CSc1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is SBEWVZUSOORRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4OS/c1-30-18-4-2-3-15(11-18)23(9-10-23)27-22(29)20-12-25-14-21-19(20)13-26-28(21)17-7-5-16(24)6-8-17/h2-8,11-14H,9-10H2,1H3,(H,27,29).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(3-methylsulfanylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 70935640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).