1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C32H25ClFN9O3 — CID 118334351

IUPAC1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cccc3[nH]nc(-c4cccc(Cl)c4)c23)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C32H25ClFN9O3/c33-20-4-1-3-18(11-20)29-28-23(5-2-6-24(28)39-40-29)38-32(46)26-13-21(34)15-42(26)27(44)16-43-25-8-7-17(19-9-10-36-37-14-19)12-22(25)30(41-43)31(35)45/h1-12,14,21,26H,13,15-16H2,(H2,35,45)(H,38,46)(H,39,40)
InChIKeyCWABSERFDGBOAA-UHFFFAOYSA-N
MW638.06 g/mol
LogP4.37
Rot. Bonds7

About 1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334351) has the molecular formula C32H25ClFN9O3 and a molecular weight of 638.06 g/mol. Its IUPAC name is 1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID118334351
Molecular FormulaC32H25ClFN9O3
Molecular Weight638.06 g/mol
Exact Mass637.18
IUPAC Name1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cccc3[nH]nc(-c4cccc(Cl)c4)c23)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C32H25ClFN9O3/c33-20-4-1-3-18(11-20)29-28-23(5-2-6-24(28)39-40-29)38-32(46)26-13-21(34)15-42(26)27(44)16-43-25-8-7-17(19-9-10-36-37-14-19)12-22(25)30(41-43)31(35)45/h1-12,14,21,26H,13,15-16H2,(H2,35,45)(H,38,46)(H,39,40)
InChIKeyCWABSERFDGBOAA-UHFFFAOYSA-N
XLogP4.37
TPSA164.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.06
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-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-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334351) is 1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cccc3[nH]nc(-c4cccc(Cl)c4)c23)c2ccc(-c3ccnnc3)cc12.
What is the InChIKey of 1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is CWABSERFDGBOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClFN9O3/c33-20-4-1-3-18(11-20)29-28-23(5-2-6-24(28)39-40-29)38-32(46)26-13-21(34)15-42(26)27(44)16-43-25-8-7-17(19-9-10-36-37-14-19)12-22(25)30(41-43)31(35)45/h1-12,14,21,26H,13,15-16H2,(H2,35,45)(H,38,46)(H,39,40).
What are the key properties of 1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 638.06 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).