1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C20H18FN5OS — CID 141264520

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCSc1ccc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H18FN5OS/c1-12(17-7-8-19(25-17)28-2)24-20(27)16-9-22-11-18-15(16)10-23-26(18)14-5-3-13(21)4-6-14/h3-12,25H,1-2H3,(H,24,27)/t12-/m0/s1
InChIKeySBIROJHLQQRXTH-LBPRGKRZSA-N
MW395.46 g/mol
LogP4.10
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 141264520) has the molecular formula C20H18FN5OS and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID141264520
Molecular FormulaC20H18FN5OS
Molecular Weight395.46 g/mol
Exact Mass395.12
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCSc1ccc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H18FN5OS/c1-12(17-7-8-19(25-17)28-2)24-20(27)16-9-22-11-18-15(16)10-23-26(18)14-5-3-13(21)4-6-14/h3-12,25H,1-2H3,(H,24,27)/t12-/m0/s1
InChIKeySBIROJHLQQRXTH-LBPRGKRZSA-N
XLogP4.10
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 141264520) is 1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CSc1ccc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is SBIROJHLQQRXTH-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H18FN5OS/c1-12(17-7-8-19(25-17)28-2)24-20(27)16-9-22-11-18-15(16)10-23-26(18)14-5-3-13(21)4-6-14/h3-12,25H,1-2H3,(H,24,27)/t12-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 141264520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).