4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide

C25H23ClFN7O4 — CID 135205929

IUPAC4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide
SMILESCCC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O
InChIInChI=1S/C25H23ClFN7O4/c1-3-4-21(25(37)30-15-6-7-16(24(28)36)19(27)10-15)33-12-22(38-2)18(11-23(33)35)17-9-14(26)5-8-20(17)34-13-29-31-32-34/h5-13,21H,3-4H2,1-2H3,(H2,28,36)(H,30,37)/t21-/m0/s1
InChIKeyCZWHJSKWMSOPRC-NRFANRHFSA-N
MW539.96 g/mol
LogP3.37
Rot. Bonds9

About 4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide

4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide (PubChem CID 135205929) has the molecular formula C25H23ClFN7O4 and a molecular weight of 539.96 g/mol. Its IUPAC name is 4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide
PubChem CID135205929
Molecular FormulaC25H23ClFN7O4
Molecular Weight539.96 g/mol
Exact Mass539.15
IUPAC Name4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide
SMILESCCC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O
InChIInChI=1S/C25H23ClFN7O4/c1-3-4-21(25(37)30-15-6-7-16(24(28)36)19(27)10-15)33-12-22(38-2)18(11-23(33)35)17-9-14(26)5-8-20(17)34-13-29-31-32-34/h5-13,21H,3-4H2,1-2H3,(H2,28,36)(H,30,37)/t21-/m0/s1
InChIKeyCZWHJSKWMSOPRC-NRFANRHFSA-N
XLogP3.37
TPSA147.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.96
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

Asundexian
CID 135206011
4-[(N-{(2e)-3-[5-Chloro-2-(1h-Tetrazol-1-Yl)phenyl]prop-2-Enoyl}-L-Phenylalanyl)amino]benzoic Acid
CID 25166809
N-[(1s)-1-Benzyl-2-[2-[5-Chloro-2-(Tetrazol-1-Yl)phenyl]ethylamino]-2-Oxo-Ethyl]-4-Hydroxy-2-Oxo-1h-Quinoline-6-Carboxamide
CID 59402011
US10421742, Example 240
CID 135205642
US10421742, Example 242
CID 135205798
US10421742, Example 251
CID 135205940
US10421742, Example 241
CID 135205975
4-[[(2S)-2-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-[4-[(2-methylcyclopropanecarbonyl)amino]phenyl]propanoyl]amino]benzoic acid
CID 127025168
4-[[(2S)-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoyl]amino]benzamide
CID 25166807
methyl N-[4-[[(2S)-1-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]phenyl]carbamate
CID 59401978
4-[[(2S)-2-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoyl]amino]benzoic acid
CID 59402220
2-[4-[[(2S)-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoyl]amino]phenyl]acetic acid
CID 59402239

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide?
The IUPAC name of 4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide (CID 135205929) is 4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide.
What is the SMILES notation for 4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide?
The canonical SMILES for 4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide is CCC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O.
What is the InChIKey of 4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide?
The InChIKey is CZWHJSKWMSOPRC-NRFANRHFSA-N. The full InChI is InChI=1S/C25H23ClFN7O4/c1-3-4-21(25(37)30-15-6-7-16(24(28)36)19(27)10-15)33-12-22(38-2)18(11-23(33)35)17-9-14(26)5-8-20(17)34-13-29-31-32-34/h5-13,21H,3-4H2,1-2H3,(H2,28,36)(H,30,37)/t21-/m0/s1.
What are the key properties of 4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide?
4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide has a molecular weight of 539.96 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoyl]amino]-2-fluorobenzamide is sourced from PubChem (CID 135205929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).