1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid

C77H87Cl4F4N9O10 — CID 158662861

IUPAC1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)CCc2cccc(Cl)c2F)CCCC1.CC1(C(=O)O)CCCC1.NC(=O)c1nn(CC(=O)NC2(C(=O)CCc3cccc(Cl)c3F)CCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NC1(C(=O)CCc2cccc(Cl)c2F)CCCC1.NCc1cccc(Cl)c1F
InChIInChI=1S/C24H24ClFN4O3.C15H18ClFO.C14H17ClFNO.C10H9N3O3.C7H7ClFN.C7H12O2/c25-17-8-5-6-15(21(17)26)10-11-19(31)24(12-3-4-13-24)28-20(32)14-30-18-9-2-1-7-16(18)22(29-30)23(27)33;1-15(9-2-3-10-15)13(18)8-7-11-5-4-6-12(16)14(11)17;15-11-5-3-4-10(13(11)16)6-7-12(18)14(17)8-1-2-9-14;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;8-6-3-1-2-5(4-10)7(6)9;1-7(6(8)9)4-2-3-5-7/h1-2,5-9H,3-4,10-14H2,(H2,27,33)(H,28,32);4-6H,2-3,7-10H2,1H3;3-5H,1-2,6-9,17H2;1-4H,5H2,(H2,11,16)(H,14,15);1-3H,4,10H2;2-5H2,1H3,(H,8,9)
InChIKeyICZAHJDLZQSEQA-UHFFFAOYSA-N
MW1516.40 g/mol
LogP15.18
Rot. Bonds21

About 1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid

1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid (PubChem CID 158662861) has the molecular formula C77H87Cl4F4N9O10 and a molecular weight of 1516.40 g/mol. Its IUPAC name is 1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid
PubChem CID158662861
Molecular FormulaC77H87Cl4F4N9O10
Molecular Weight1516.40 g/mol
Exact Mass1513.53
IUPAC Name1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)CCc2cccc(Cl)c2F)CCCC1.CC1(C(=O)O)CCCC1.NC(=O)c1nn(CC(=O)NC2(C(=O)CCc3cccc(Cl)c3F)CCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NC1(C(=O)CCc2cccc(Cl)c2F)CCCC1.NCc1cccc(Cl)c1F
InChIInChI=1S/C24H24ClFN4O3.C15H18ClFO.C14H17ClFNO.C10H9N3O3.C7H7ClFN.C7H12O2/c25-17-8-5-6-15(21(17)26)10-11-19(31)24(12-3-4-13-24)28-20(32)14-30-18-9-2-1-7-16(18)22(29-30)23(27)33;1-15(9-2-3-10-15)13(18)8-7-11-5-4-6-12(16)14(11)17;15-11-5-3-4-10(13(11)16)6-7-12(18)14(17)8-1-2-9-14;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;8-6-3-1-2-5(4-10)7(6)9;1-7(6(8)9)4-2-3-5-7/h1-2,5-9H,3-4,10-14H2,(H2,27,33)(H,28,32);4-6H,2-3,7-10H2,1H3;3-5H,1-2,6-9,17H2;1-4H,5H2,(H2,11,16)(H,14,15);1-3H,4,10H2;2-5H2,1H3,(H,8,9)
InChIKeyICZAHJDLZQSEQA-UHFFFAOYSA-N
XLogP15.18
TPSA328.77 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001516.40
LogP ≤ 515.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid with MolForge

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Related Compounds

(4S)-4-amino-1-(3-chloro-2-fluorophenyl)heptan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;(4S)-1-(3-chloro-2-fluorophenyl)-4-methylheptan-3-one;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;methane;(2S)-2-methylpentanoic acid;2,2,2-trifluoroacetaldehyde
CID 158478875
dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;oxido formate
CID 159155459
dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;oxido formate
CID 161372386
dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate
CID 157131263
1-Amino-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide;4-(3-chloro-2-fluorophenyl)-1-(3-methylbutylamino)butan-2-one;3-methylbutanal
CID 157150163
dipotassium;3-amino-1-methylcyclobutan-1-ol;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxy-3-methylcyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-hydroxy-3-methylcyclobutyl)amino]acetamide;hydride;oxido formate
CID 157276411
dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;oxido formate
CID 157366557
6-Amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid
CID 157379765
dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-fluoropropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(3-fluoropropylamino)acetamide;3-fluoropropan-1-amine;hydride;oxido formate
CID 157512164
2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3,3-dimethylbutanoic acid
CID 157515808
dipotassium;3-(aminomethyl)cyclobutan-1-ol;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-hydroxycyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-hydroxycyclobutyl)methylamino]acetamide;hydride;oxido formate
CID 157588378
dipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-4,4-dimethylpentanamide;hydride;methane;2-methylpropan-2-amine;oxido formate
CID 157589740

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid (CID 158662861) is 1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)CCc2cccc(Cl)c2F)CCCC1.CC1(C(=O)O)CCCC1.NC(=O)c1nn(CC(=O)NC2(C(=O)CCc3cccc(Cl)c3F)CCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NC1(C(=O)CCc2cccc(Cl)c2F)CCCC1.NCc1cccc(Cl)c1F.
What is the InChIKey of 1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid?
The InChIKey is ICZAHJDLZQSEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O3.C15H18ClFO.C14H17ClFNO.C10H9N3O3.C7H7ClFN.C7H12O2/c25-17-8-5-6-15(21(17)26)10-11-19(31)24(12-3-4-13-24)28-20(32)14-30-18-9-2-1-7-16(18)22(29-30)23(27)33;1-15(9-2-3-10-15)13(18)8-7-11-5-4-6-12(16)14(11)17;15-11-5-3-4-10(13(11)16)6-7-12(18)14(17)8-1-2-9-14;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;8-6-3-1-2-5(4-10)7(6)9;1-7(6(8)9)4-2-3-5-7/h1-2,5-9H,3-4,10-14H2,(H2,27,33)(H,28,32);4-6H,2-3,7-10H2,1H3;3-5H,1-2,6-9,17H2;1-4H,5H2,(H2,11,16)(H,14,15);1-3H,4,10H2;2-5H2,1H3,(H,8,9).
What are the key properties of 1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid?
1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid has a molecular weight of 1516.40 g/mol, XLogP of 15.18, 21 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 158662861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).