1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide

C31H32FN7O4 — CID 163938564

IUPAC1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide
SMILESCC1CC(c2ccc3c(c2)c(C(N)=O)nn3CC(=O)N2CC(F)CC2C(=O)NC2CC2c2ccc3c(c2)CCO3)=CN=N1
InChIInChI=1S/C31H32FN7O4/c1-16-8-20(13-34-36-16)17-2-4-25-23(10-17)29(30(33)41)37-39(25)15-28(40)38-14-21(32)11-26(38)31(42)35-24-12-22(24)18-3-5-27-19(9-18)6-7-43-27/h2-5,9-10,13,16,21-22,24,26H,6-8,11-12,14-15H2,1H3,(H2,33,41)(H,35,42)
InChIKeyROZCUCXQWLYLRX-UHFFFAOYSA-N
MW585.64 g/mol
LogP3.27
Rot. Bonds7

About 1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide

1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide (PubChem CID 163938564) has the molecular formula C31H32FN7O4 and a molecular weight of 585.64 g/mol. Its IUPAC name is 1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide
PubChem CID163938564
Molecular FormulaC31H32FN7O4
Molecular Weight585.64 g/mol
Exact Mass585.25
IUPAC Name1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide
SMILESCC1CC(c2ccc3c(c2)c(C(N)=O)nn3CC(=O)N2CC(F)CC2C(=O)NC2CC2c2ccc3c(c2)CCO3)=CN=N1
InChIInChI=1S/C31H32FN7O4/c1-16-8-20(13-34-36-16)17-2-4-25-23(10-17)29(30(33)41)37-39(25)15-28(40)38-14-21(32)11-26(38)31(42)35-24-12-22(24)18-3-5-27-19(9-18)6-7-43-27/h2-5,9-10,13,16,21-22,24,26H,6-8,11-12,14-15H2,1H3,(H2,33,41)(H,35,42)
InChIKeyROZCUCXQWLYLRX-UHFFFAOYSA-N
XLogP3.27
TPSA144.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.64
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide?
The IUPAC name of 1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide (CID 163938564) is 1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide?
The canonical SMILES for 1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide is CC1CC(c2ccc3c(c2)c(C(N)=O)nn3CC(=O)N2CC(F)CC2C(=O)NC2CC2c2ccc3c(c2)CCO3)=CN=N1.
What is the InChIKey of 1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide?
The InChIKey is ROZCUCXQWLYLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN7O4/c1-16-8-20(13-34-36-16)17-2-4-25-23(10-17)29(30(33)41)37-39(25)15-28(40)38-14-21(32)11-26(38)31(42)35-24-12-22(24)18-3-5-27-19(9-18)6-7-43-27/h2-5,9-10,13,16,21-22,24,26H,6-8,11-12,14-15H2,1H3,(H2,33,41)(H,35,42).
What are the key properties of 1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide?
1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide has a molecular weight of 585.64 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(3-methyl-3,4-dihydropyridazin-5-yl)indazole-3-carboxamide is sourced from PubChem (CID 163938564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).