1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C31H32FN7O5 — CID 118334355

IUPAC1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCOc1cc(C)cc2c1OCC(C)C2NC(=O)C1CC(F)CN1C(=O)Cn1nc(C(N)=O)c2cc(-c3ccnnc3)ccc21
InChIInChI=1S/C31H32FN7O5/c1-16-8-22-27(17(2)15-44-29(22)25(9-16)43-3)36-31(42)24-11-20(32)13-38(24)26(40)14-39-23-5-4-18(19-6-7-34-35-12-19)10-21(23)28(37-39)30(33)41/h4-10,12,17,20,24,27H,11,13-15H2,1-3H3,(H2,33,41)(H,36,42)
InChIKeyHBAXZSWYMRHYRJ-UHFFFAOYSA-N
MW601.64 g/mol
LogP2.73
Rot. Bonds7

About 1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334355) has the molecular formula C31H32FN7O5 and a molecular weight of 601.64 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID118334355
Molecular FormulaC31H32FN7O5
Molecular Weight601.64 g/mol
Exact Mass601.24
IUPAC Name1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCOc1cc(C)cc2c1OCC(C)C2NC(=O)C1CC(F)CN1C(=O)Cn1nc(C(N)=O)c2cc(-c3ccnnc3)ccc21
InChIInChI=1S/C31H32FN7O5/c1-16-8-22-27(17(2)15-44-29(22)25(9-16)43-3)36-31(42)24-11-20(32)13-38(24)26(40)14-39-23-5-4-18(19-6-7-34-35-12-19)10-21(23)28(37-39)30(33)41/h4-10,12,17,20,24,27H,11,13-15H2,1-3H3,(H2,33,41)(H,36,42)
InChIKeyHBAXZSWYMRHYRJ-UHFFFAOYSA-N
XLogP2.73
TPSA154.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.64
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]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-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334355) is 1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is COc1cc(C)cc2c1OCC(C)C2NC(=O)C1CC(F)CN1C(=O)Cn1nc(C(N)=O)c2cc(-c3ccnnc3)ccc21.
What is the InChIKey of 1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is HBAXZSWYMRHYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN7O5/c1-16-8-22-27(17(2)15-44-29(22)25(9-16)43-3)36-31(42)24-11-20(32)13-38(24)26(40)14-39-23-5-4-18(19-6-7-34-35-12-19)10-21(23)28(37-39)30(33)41/h4-10,12,17,20,24,27H,11,13-15H2,1-3H3,(H2,33,41)(H,36,42).
What are the key properties of 1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 601.64 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[(8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).