1-[2-[4-fluoro-2-[(2-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C32H32FN7O4 — CID 134222908

IUPAC1-[2-[4-fluoro-2-[(2-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCC1=CC(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)c2cc(C(C)C)ccc2O1
InChIInChI=1S/C32H32FN7O4/c1-17(2)19-5-7-28-23(11-19)25(10-18(3)44-28)37-32(43)27-13-22(33)15-39(27)29(41)16-40-26-6-4-20(21-8-9-35-36-14-21)12-24(26)30(38-40)31(34)42/h4-12,14,17,22,25,27H,13,15-16H2,1-3H3,(H2,34,42)(H,37,43)
InChIKeyLCUUOZDSENNWHF-UHFFFAOYSA-N
MW597.65 g/mol
LogP3.81
Rot. Bonds7

About 1-[2-[4-fluoro-2-[(2-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[(2-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 134222908) has the molecular formula C32H32FN7O4 and a molecular weight of 597.65 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[(2-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[(2-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID134222908
Molecular FormulaC32H32FN7O4
Molecular Weight597.65 g/mol
Exact Mass597.25
IUPAC Name1-[2-[4-fluoro-2-[(2-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCC1=CC(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)c2cc(C(C)C)ccc2O1
InChIInChI=1S/C32H32FN7O4/c1-17(2)19-5-7-28-23(11-19)25(10-18(3)44-28)37-32(43)27-13-22(33)15-39(27)29(41)16-40-26-6-4-20(21-8-9-35-36-14-21)12-24(26)30(38-40)31(34)42/h4-12,14,17,22,25,27H,13,15-16H2,1-3H3,(H2,34,42)(H,37,43)
InChIKeyLCUUOZDSENNWHF-UHFFFAOYSA-N
XLogP3.81
TPSA145.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.65
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-2-[(2-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-2-[(2-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 134222908) is 1-[2-[4-fluoro-2-[(2-methyl-6-propan-2-yl-4H-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-[(2-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-2-[(2-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is CC1=CC(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)c2cc(C(C)C)ccc2O1.
What is the InChIKey of 1-[2-[4-fluoro-2-[(2-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is LCUUOZDSENNWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN7O4/c1-17(2)19-5-7-28-23(11-19)25(10-18(3)44-28)37-32(43)27-13-22(33)15-39(27)29(41)16-40-26-6-4-20(21-8-9-35-36-14-21)12-24(26)30(38-40)31(34)42/h4-12,14,17,22,25,27H,13,15-16H2,1-3H3,(H2,34,42)(H,37,43).
What are the key properties of 1-[2-[4-fluoro-2-[(2-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[(2-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 597.65 g/mol, XLogP of 3.81, 7 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-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 134222908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).