1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide

C29H29ClFN7O4 — CID 130300262

IUPAC1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide
SMILESCC(C)N(CC(=O)NCC1=C(C(=CC=C1)Cl)F)C(=O)CN2C3=C(C=C(C=C3)C(=O)NCC4=CC=NC=C4)C(=N2)C(=O)N
InChIInChI=1S/C29H29ClFN7O4/c1-17(2)37(15-24(39)34-14-20-4-3-5-22(30)26(20)31)25(40)16-38-23-7-6-19(12-21(23)27(36-38)28(32)41)29(42)35-13-18-8-10-33-11-9-18/h3-12,17H,13-16H2,1-2H3,(H2,32,41)(H,34,39)(H,35,42)
InChIKeyZKYKAFASNDEWPT-UHFFFAOYSA-N
MW594.00 g/mol
LogP2.50
Rot. Bonds11

About 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide

1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide (PubChem CID 130300262) has the molecular formula C29H29ClFN7O4 and a molecular weight of 594.00 g/mol. Its IUPAC name is 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide
PubChem CID130300262
Molecular FormulaC29H29ClFN7O4
Molecular Weight594.00 g/mol
Exact Mass593.20
IUPAC Name1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide
SMILESCC(C)N(CC(=O)NCC1=C(C(=CC=C1)Cl)F)C(=O)CN2C3=C(C=C(C=C3)C(=O)NCC4=CC=NC=C4)C(=N2)C(=O)N
InChIInChI=1S/C29H29ClFN7O4/c1-17(2)37(15-24(39)34-14-20-4-3-5-22(30)26(20)31)25(40)16-38-23-7-6-19(12-21(23)27(36-38)28(32)41)29(42)35-13-18-8-10-33-11-9-18/h3-12,17H,13-16H2,1-2H3,(H2,32,41)(H,34,39)(H,35,42)
InChIKeyZKYKAFASNDEWPT-UHFFFAOYSA-N
XLogP2.50
TPSA152.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms42
Complexity968

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.00
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide 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

N-(3-chloro-4-fluorophenyl)-1-methylindazole-5-carboxamide
CID 77844718
5H-1-benzazepin-5-ylidene acetamide, 1a
CID 9959174
1-[(3-chlorophenyl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801045
5H-1-benzazepin-5-ylidene acetamide, 1e
CID 44520855
Factor D inhibitor 6
CID 68283608
(R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide
CID 77068209
Nalpha-{4-[4-(5-Chloro-2-Methylphenyl)piperazin-1-Yl]-2-Fluorobenzoyl}-N-Pyridin-4-Yl-D-Tryptophanamide
CID 86278574
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903
N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 134278371
Psn357
CID 56603686
5H-1-benzazepin-5-ylidene acetamide, 1b
CID 10119966
5H-1-benzazepin-5-ylidene acetamide, 1c
CID 44520853

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide?
The IUPAC name of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide (CID 130300262) is 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide.
What is the SMILES notation for 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide?
The canonical SMILES for 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide is CC(C)N(CC(=O)NCC1=C(C(=CC=C1)Cl)F)C(=O)CN2C3=C(C=C(C=C3)C(=O)NCC4=CC=NC=C4)C(=N2)C(=O)N.
What is the InChIKey of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide?
The InChIKey is ZKYKAFASNDEWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClFN7O4/c1-17(2)37(15-24(39)34-14-20-4-3-5-22(30)26(20)31)25(40)16-38-23-7-6-19(12-21(23)27(36-38)28(32)41)29(42)35-13-18-8-10-33-11-9-18/h3-12,17H,13-16H2,1-2H3,(H2,32,41)(H,34,39)(H,35,42).
What are the key properties of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide?
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide has a molecular weight of 594.00 g/mol, XLogP of 2.50, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide is sourced from PubChem (CID 130300262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).