1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C34H34F2N8O3 — CID 118334529

IUPAC1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCC1CCC(CC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)(c2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C34H34F2N8O3/c1-19-6-9-34(10-7-19,33-40-25-4-3-22(35)13-26(25)41-33)15-29(45)28-14-23(36)17-43(28)30(46)18-44-27-5-2-20(21-8-11-38-39-16-21)12-24(27)31(42-44)32(37)47/h2-5,8,11-13,16,19,23,28H,6-7,9-10,14-15,17-18H2,1H3,(H2,37,47)(H,40,41)
InChIKeyZEVPXCXWJYXAMO-UHFFFAOYSA-N
MW640.70 g/mol
LogP4.65
Rot. Bonds8

About 1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334529) has the molecular formula C34H34F2N8O3 and a molecular weight of 640.70 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID118334529
Molecular FormulaC34H34F2N8O3
Molecular Weight640.70 g/mol
Exact Mass640.27
IUPAC Name1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCC1CCC(CC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)(c2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C34H34F2N8O3/c1-19-6-9-34(10-7-19,33-40-25-4-3-22(35)13-26(25)41-33)15-29(45)28-14-23(36)17-43(28)30(46)18-44-27-5-2-20(21-8-11-38-39-16-21)12-24(27)31(42-44)32(37)47/h2-5,8,11-13,16,19,23,28H,6-7,9-10,14-15,17-18H2,1H3,(H2,37,47)(H,40,41)
InChIKeyZEVPXCXWJYXAMO-UHFFFAOYSA-N
XLogP4.65
TPSA152.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.70
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334529) is 1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is CC1CCC(CC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)(c2nc3ccc(F)cc3[nH]2)CC1.
What is the InChIKey of 1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is ZEVPXCXWJYXAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F2N8O3/c1-19-6-9-34(10-7-19,33-40-25-4-3-22(35)13-26(25)41-33)15-29(45)28-14-23(36)17-43(28)30(46)18-44-27-5-2-20(21-8-11-38-39-16-21)12-24(27)31(42-44)32(37)47/h2-5,8,11-13,16,19,23,28H,6-7,9-10,14-15,17-18H2,1H3,(H2,37,47)(H,40,41).
What are the key properties of 1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 640.70 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[2-[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).