4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide

C20H19ClFN5O3 — CID 175764467

IUPAC4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)CCc1cccc2c1c(C(N)=O)nn2CC(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C20H19ClFN5O3/c21-13-5-1-4-12(18(13)22)9-25-16(29)10-27-14-6-2-3-11(7-8-15(23)28)17(14)19(26-27)20(24)30/h1-6H,7-10H2,(H2,23,28)(H2,24,30)(H,25,29)
InChIKeyWEGKOQZQPVFVOO-UHFFFAOYSA-N
MW431.86 g/mol
LogP1.66
Rot. Bonds8

About 4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide

4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 175764467) has the molecular formula C20H19ClFN5O3 and a molecular weight of 431.86 g/mol. Its IUPAC name is 4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID175764467
Molecular FormulaC20H19ClFN5O3
Molecular Weight431.86 g/mol
Exact Mass431.12
IUPAC Name4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)CCc1cccc2c1c(C(N)=O)nn2CC(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C20H19ClFN5O3/c21-13-5-1-4-12(18(13)22)9-25-16(29)10-27-14-6-2-3-11(7-8-15(23)28)17(14)19(26-27)20(24)30/h1-6H,7-10H2,(H2,23,28)(H2,24,30)(H,25,29)
InChIKeyWEGKOQZQPVFVOO-UHFFFAOYSA-N
XLogP1.66
TPSA133.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.86
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299550
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]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 130300226
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]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299903
1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 139507757
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-piperidin-4-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130300094
(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
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3,5-dicarboxamide
CID 130299940
3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 134192321
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(methylamino)indazole-3-carboxamide
CID 130323110
1-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 129217446

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide (CID 175764467) is 4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide is NC(=O)CCc1cccc2c1c(C(N)=O)nn2CC(=O)NCc1cccc(Cl)c1F.
What is the InChIKey of 4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is WEGKOQZQPVFVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5O3/c21-13-5-1-4-12(18(13)22)9-25-16(29)10-27-14-6-2-3-11(7-8-15(23)28)17(14)19(26-27)20(24)30/h1-6H,7-10H2,(H2,23,28)(H2,24,30)(H,25,29).
What are the key properties of 4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide?
4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 431.86 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 175764467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).