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

Analyze 4-(3-amino-3-oxopropyl)-1-[2-[(3-chloro-2-fluorophenyl)methylamino]-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

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).