1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C26H29FN6O4S — CID 45137700

IUPAC1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCOCCN(C)CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C26H29FN6O4S/c1-32(12-13-37-2)11-9-23(18-8-10-29-25(14-18)38(3,35)36)31-26(34)22-15-28-17-24-21(22)16-30-33(24)20-6-4-19(27)5-7-20/h4-8,10,14-17,23H,9,11-13H2,1-3H3,(H,31,34)/t23-/m0/s1
InChIKeyFSJHLJAANWDOMH-QHCPKHFHSA-N
MW540.62 g/mol
LogP2.80
Rot. Bonds11

About 1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 45137700) has the molecular formula C26H29FN6O4S and a molecular weight of 540.62 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID45137700
Molecular FormulaC26H29FN6O4S
Molecular Weight540.62 g/mol
Exact Mass540.20
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCOCCN(C)CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C26H29FN6O4S/c1-32(12-13-37-2)11-9-23(18-8-10-29-25(14-18)38(3,35)36)31-26(34)22-15-28-17-24-21(22)16-30-33(24)20-6-4-19(27)5-7-20/h4-8,10,14-17,23H,9,11-13H2,1-3H3,(H,31,34)/t23-/m0/s1
InChIKeyFSJHLJAANWDOMH-QHCPKHFHSA-N
XLogP2.80
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.62
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]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)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 45137700) is 1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is COCCN(C)CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is FSJHLJAANWDOMH-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H29FN6O4S/c1-32(12-13-37-2)11-9-23(18-8-10-29-25(14-18)38(3,35)36)31-26(34)22-15-28-17-24-21(22)16-30-33(24)20-6-4-19(27)5-7-20/h4-8,10,14-17,23H,9,11-13H2,1-3H3,(H,31,34)/t23-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 540.62 g/mol, XLogP of 2.80, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-3-[2-methoxyethyl(methyl)amino]-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 45137700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).