3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid

C32H35FN4O5S — CID 67210125

IUPAC3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
SMILESCN1C(=O)CCc2cc(-c3ccc(OCF)cc3-c3csc(N(C(=O)C(CC(=O)O)CC4CCCC4)C4CC4)n3)cnc21
InChIInChI=1S/C32H35FN4O5S/c1-36-28(38)11-6-20-13-22(16-34-30(20)36)25-10-9-24(42-18-33)15-26(25)27-17-43-32(35-27)37(23-7-8-23)31(41)21(14-29(39)40)12-19-4-2-3-5-19/h9-10,13,15-17,19,21,23H,2-8,11-12,14,18H2,1H3,(H,39,40)
InChIKeyGDEKQSXBCRNLCX-UHFFFAOYSA-N
MW606.72 g/mol
LogP6.25
Rot. Bonds11

About 3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid

3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid (PubChem CID 67210125) has the molecular formula C32H35FN4O5S and a molecular weight of 606.72 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
PubChem CID67210125
Molecular FormulaC32H35FN4O5S
Molecular Weight606.72 g/mol
Exact Mass606.23
IUPAC Name3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
SMILESCN1C(=O)CCc2cc(-c3ccc(OCF)cc3-c3csc(N(C(=O)C(CC(=O)O)CC4CCCC4)C4CC4)n3)cnc21
InChIInChI=1S/C32H35FN4O5S/c1-36-28(38)11-6-20-13-22(16-34-30(20)36)25-10-9-24(42-18-33)15-26(25)27-17-43-32(35-27)37(23-7-8-23)31(41)21(14-29(39)40)12-19-4-2-3-5-19/h9-10,13,15-17,19,21,23H,2-8,11-12,14,18H2,1H3,(H,39,40)
InChIKeyGDEKQSXBCRNLCX-UHFFFAOYSA-N
XLogP6.25
TPSA112.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.72
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid 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

3-(3-Methoxyphenyl)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one
CID 60097642
(3R)-3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 67209751
(3R)-3-[cyclopropyl-[4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-5-methylhexanoic acid
CID 117898634
(3R)-3-benzyl-4-[[4-[3-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-methylamino]-4-oxobutanoic acid
CID 46234730
(3R)-4-[[4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]-cyclopropylamino]-3-(oxan-4-ylmethyl)-4-oxobutanoic acid
CID 46235641
(3R)-4-[cyclopropyl-[5-fluoro-4-[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-3-(oxan-4-ylmethyl)-4-oxobutanoic acid
CID 46235643
(3R)-3-benzyl-4-[[4-[3-fluoro-2-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-methylamino]-4-oxobutanoic acid
CID 53253112
(3R)-3-benzyl-4-[[4-[3,5-difluoro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-methylamino]-4-oxobutanoic acid
CID 53253156
(3R)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-3-(oxan-4-ylmethyl)-4-oxobutanoic acid
CID 53302567
(3R)-4-[cyclopropyl-[4-[5-(difluoromethoxy)-2-(6-methoxypyridin-3-yl)phenyl]-5-fluoro-1,3-thiazol-2-yl]amino]-3-(oxan-4-ylmethyl)-4-oxobutanoic acid
CID 53303025
(3R)-3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-fluoro-2-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 53303147
(3R)-3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(difluoromethoxy)-2-(6-methoxypyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 53303286

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid (CID 67210125) is 3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid is CN1C(=O)CCc2cc(-c3ccc(OCF)cc3-c3csc(N(C(=O)C(CC(=O)O)CC4CCCC4)C4CC4)n3)cnc21.
What is the InChIKey of 3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is GDEKQSXBCRNLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN4O5S/c1-36-28(38)11-6-20-13-22(16-34-30(20)36)25-10-9-24(42-18-33)15-26(25)27-17-43-32(35-27)37(23-7-8-23)31(41)21(14-29(39)40)12-19-4-2-3-5-19/h9-10,13,15-17,19,21,23H,2-8,11-12,14,18H2,1H3,(H,39,40).
What are the key properties of 3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 606.72 g/mol, XLogP of 6.25, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[5-(fluoromethoxy)-2-(8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 67210125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).