(1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid

C73H79Cl4F4N9O10 — CID 159830711

IUPAC(1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid
SMILESC[C@H](C(=O)CCc1cccc(Cl)c1F)C1CC1.C[C@H](C(=O)O)C1CC1.NC(=O)c1nn(CC(=O)N[C@H](C(=O)CCc2cccc(Cl)c2F)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NCc1cccc(Cl)c1F.N[C@H](C(=O)CCc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C23H22ClFN4O3.C14H16ClFO.C13H15ClFNO.C10H9N3O3.C7H7ClFN.C6H10O2/c24-16-6-3-4-13(20(16)25)10-11-18(30)21(14-8-9-14)27-19(31)12-29-17-7-2-1-5-15(17)22(28-29)23(26)32;1-9(10-5-6-10)13(17)8-7-11-3-2-4-12(15)14(11)16;14-10-3-1-2-8(12(10)15)6-7-11(17)13(16)9-4-5-9;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;1-4(6(7)8)5-2-3-5/h1-7,14,21H,8-12H2,(H2,26,32)(H,27,31);2-4,9-10H,5-8H2,1H3;1-3,9,13H,4-7,16H2;1-4H,5H2,(H2,11,16)(H,14,15);1-3H,4,10H2;4-5H,2-3H2,1H3,(H,7,8)/t21-;9-;13-;;;4-/m000..0/s1
InChIKeyNNKUSGRONGUMAG-CJRVDBQQSA-N
MW1460.29 g/mol
LogP13.04
Rot. Bonds25

About (1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid

(1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid (PubChem CID 159830711) has the molecular formula C73H79Cl4F4N9O10 and a molecular weight of 1460.29 g/mol. Its IUPAC name is (1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name(1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid
PubChem CID159830711
Molecular FormulaC73H79Cl4F4N9O10
Molecular Weight1460.29 g/mol
Exact Mass1457.46
IUPAC Name(1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid
SMILESC[C@H](C(=O)CCc1cccc(Cl)c1F)C1CC1.C[C@H](C(=O)O)C1CC1.NC(=O)c1nn(CC(=O)N[C@H](C(=O)CCc2cccc(Cl)c2F)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NCc1cccc(Cl)c1F.N[C@H](C(=O)CCc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C23H22ClFN4O3.C14H16ClFO.C13H15ClFNO.C10H9N3O3.C7H7ClFN.C6H10O2/c24-16-6-3-4-13(20(16)25)10-11-18(30)21(14-8-9-14)27-19(31)12-29-17-7-2-1-5-15(17)22(28-29)23(26)32;1-9(10-5-6-10)13(17)8-7-11-3-2-4-12(15)14(11)16;14-10-3-1-2-8(12(10)15)6-7-11(17)13(16)9-4-5-9;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;1-4(6(7)8)5-2-3-5/h1-7,14,21H,8-12H2,(H2,26,32)(H,27,31);2-4,9-10H,5-8H2,1H3;1-3,9,13H,4-7,16H2;1-4H,5H2,(H2,11,16)(H,14,15);1-3H,4,10H2;4-5H,2-3H2,1H3,(H,7,8)/t21-;9-;13-;;;4-/m000..0/s1
InChIKeyNNKUSGRONGUMAG-CJRVDBQQSA-N
XLogP13.04
TPSA328.77 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001460.29
LogP ≤ 513.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze (1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid with MolForge

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Related Compounds

2-[3-Carbamoyl-6-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclopropyl]-5-fluoroindazol-1-yl]acetic acid
CID 130325149
1-[2-[Butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-6-[4-[[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-(4-hydroxybutan-2-yl)amino]acetyl]amino]methyl]-2-chloro-3-fluorophenyl]indazole-3-carboxamide
CID 138636278
5-[4-[[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[(1R)-1-cyclopropylethyl]amino]acetyl]amino]methyl]-2-chloro-3-fluorophenyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 138636287
N-[2-[[5-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-N-propan-2-yl-2-[3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetamide
CID 138636297
4-[3-[3-[[2-[[2-(3-Carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 138636299
2-[3-[[4-Chloro-3-fluoro-2-[[[2-(4-methylpentan-2-ylamino)acetyl]amino]methyl]phenyl]carbamoyl]indazol-1-yl]acetic acid
CID 138636320
4-[3-[(1S)-1-[[2-[[2-(5-amino-3-carbamoylindazol-1-yl)acetyl]-[(2R)-1-hydroxypropan-2-yl]amino]acetyl]amino]-2-(dimethylamino)ethyl]-5-chloro-4-fluorophenyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 138636508
4-[3-[3-[[2-[[2-(3-Acetylindazol-1-yl)acetyl]-(3-hydroxycyclobutyl)amino]acetyl]amino]-2-fluorophenyl]-2-chlorophenyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-methylbutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 138636519
tert-butyl N-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-fluoroindazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-5-yl]carbamate
CID 138636521
6-[4-[[[2-[[2-(3-Carbamoylindazol-1-yl)acetyl]-pentan-2-ylamino]acetyl]amino]methyl]-2-chloro-3-fluorophenyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 138636608
5-[2-[3-[[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[(2R)-1-hydroxypropan-2-yl]amino]acetyl]amino]methyl]-5-cyano-4-fluorophenyl]acetyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 138636616
5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-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]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 157653492

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid?
The IUPAC name of (1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid (CID 159830711) is (1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid.
What is the SMILES notation for (1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid?
The canonical SMILES for (1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid is C[C@H](C(=O)CCc1cccc(Cl)c1F)C1CC1.C[C@H](C(=O)O)C1CC1.NC(=O)c1nn(CC(=O)N[C@H](C(=O)CCc2cccc(Cl)c2F)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NCc1cccc(Cl)c1F.N[C@H](C(=O)CCc1cccc(Cl)c1F)C1CC1.
What is the InChIKey of (1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid?
The InChIKey is NNKUSGRONGUMAG-CJRVDBQQSA-N. The full InChI is InChI=1S/C23H22ClFN4O3.C14H16ClFO.C13H15ClFNO.C10H9N3O3.C7H7ClFN.C6H10O2/c24-16-6-3-4-13(20(16)25)10-11-18(30)21(14-8-9-14)27-19(31)12-29-17-7-2-1-5-15(17)22(28-29)23(26)32;1-9(10-5-6-10)13(17)8-7-11-3-2-4-12(15)14(11)16;14-10-3-1-2-8(12(10)15)6-7-11(17)13(16)9-4-5-9;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;1-4(6(7)8)5-2-3-5/h1-7,14,21H,8-12H2,(H2,26,32)(H,27,31);2-4,9-10H,5-8H2,1H3;1-3,9,13H,4-7,16H2;1-4H,5H2,(H2,11,16)(H,14,15);1-3H,4,10H2;4-5H,2-3H2,1H3,(H,7,8)/t21-;9-;13-;;;4-/m000..0/s1.
What are the key properties of (1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid?
(1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid has a molecular weight of 1460.29 g/mol, XLogP of 13.04, 25 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-4-(3-chloro-2-fluorophenyl)-1-cyclopropylbutan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;(4S)-1-(3-chloro-2-fluorophenyl)-4-cyclopropylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;(2S)-2-cyclopropylpropanoic acid is sourced from PubChem (CID 159830711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).