(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide

C44H44Cl2F2N10O7 — CID 161464323

IUPAC(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N[C@H](C(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.N[C@H](C(=O)NCc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C22H21ClFN5O3.C12H14ClFN2O.C10H9N3O3/c23-15-6-3-4-13(18(15)24)10-26-22(32)19(12-8-9-12)27-17(30)11-29-16-7-2-1-5-14(16)20(28-29)21(25)31;13-9-3-1-2-8(10(9)14)6-16-12(17)11(15)7-4-5-7;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15/h1-7,12,19H,8-11H2,(H2,25,31)(H,26,32)(H,27,30);1-3,7,11H,4-6,15H2,(H,16,17);1-4H,5H2,(H2,11,16)(H,14,15)/t19-;11-;/m00./s1
InChIKeyWCFMFFUPIXNDDQ-RGTUYHAZSA-N
MW933.80 g/mol
LogP4.19
Rot. Bonds15

About (2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide

(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 161464323) has the molecular formula C44H44Cl2F2N10O7 and a molecular weight of 933.80 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID161464323
Molecular FormulaC44H44Cl2F2N10O7
Molecular Weight933.80 g/mol
Exact Mass932.27
IUPAC Name(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N[C@H](C(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.N[C@H](C(=O)NCc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C22H21ClFN5O3.C12H14ClFN2O.C10H9N3O3/c23-15-6-3-4-13(18(15)24)10-26-22(32)19(12-8-9-12)27-17(30)11-29-16-7-2-1-5-14(16)20(28-29)21(25)31;13-9-3-1-2-8(10(9)14)6-16-12(17)11(15)7-4-5-7;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15/h1-7,12,19H,8-11H2,(H2,25,31)(H,26,32)(H,27,30);1-3,7,11H,4-6,15H2,(H,16,17);1-4H,5H2,(H2,11,16)(H,14,15)/t19-;11-;/m00./s1
InChIKeyWCFMFFUPIXNDDQ-RGTUYHAZSA-N
XLogP4.19
TPSA272.44 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500933.80
LogP ≤ 54.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze (2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide 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

1-[2-[[(2S)-1-[(3-chloro-2-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299670
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299903
1-[2-[[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299550
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-piperidin-4-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130300094
1-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 129217446
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299832
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 130300226
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3R)-piperidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299961
1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 139507757
4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide
CID 175764467
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methyloxetan-3-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130300155
7-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 139507748

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of (2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 161464323) is (2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for (2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide is NC(=O)c1nn(CC(=O)N[C@H](C(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.N[C@H](C(=O)NCc1cccc(Cl)c1F)C1CC1.
What is the InChIKey of (2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is WCFMFFUPIXNDDQ-RGTUYHAZSA-N. The full InChI is InChI=1S/C22H21ClFN5O3.C12H14ClFN2O.C10H9N3O3/c23-15-6-3-4-13(18(15)24)10-26-22(32)19(12-8-9-12)27-17(30)11-29-16-7-2-1-5-14(16)20(28-29)21(25)31;13-9-3-1-2-8(10(9)14)6-16-12(17)11(15)7-4-5-7;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15/h1-7,12,19H,8-11H2,(H2,25,31)(H,26,32)(H,27,30);1-3,7,11H,4-6,15H2,(H,16,17);1-4H,5H2,(H2,11,16)(H,14,15)/t19-;11-;/m00./s1.
What are the key properties of (2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 933.80 g/mol, XLogP of 4.19, 15 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 161464323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).