1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C32H27FN10O3 — CID 118334422

IUPAC1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)c2nc(-c3ccccn3)cn2c1
InChIInChI=1S/C32H27FN10O3/c1-18-10-24(31-38-25(16-41(31)14-18)23-4-2-3-8-35-23)39-32(46)27-12-21(33)15-42(27)28(44)17-43-26-6-5-19(20-7-9-36-37-13-20)11-22(26)29(40-43)30(34)45/h2-11,13-14,16,21,27H,12,15,17H2,1H3,(H2,34,45)(H,39,46)
InChIKeySPHUGBWWEGAPRV-UHFFFAOYSA-N
MW618.63 g/mol
LogP3.19
Rot. Bonds7

About 1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334422) has the molecular formula C32H27FN10O3 and a molecular weight of 618.63 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID118334422
Molecular FormulaC32H27FN10O3
Molecular Weight618.63 g/mol
Exact Mass618.23
IUPAC Name1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)c2nc(-c3ccccn3)cn2c1
InChIInChI=1S/C32H27FN10O3/c1-18-10-24(31-38-25(16-41(31)14-18)23-4-2-3-8-35-23)39-32(46)27-12-21(33)15-42(27)28(44)17-43-26-6-5-19(20-7-9-36-37-13-20)11-22(26)29(40-43)30(34)45/h2-11,13-14,16,21,27H,12,15,17H2,1H3,(H2,34,45)(H,39,46)
InChIKeySPHUGBWWEGAPRV-UHFFFAOYSA-N
XLogP3.19
TPSA166.29 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.63
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-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-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334422) is 1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is Cc1cc(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)c2nc(-c3ccccn3)cn2c1.
What is the InChIKey of 1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is SPHUGBWWEGAPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN10O3/c1-18-10-24(31-38-25(16-41(31)14-18)23-4-2-3-8-35-23)39-32(46)27-12-21(33)15-42(27)28(44)17-43-26-6-5-19(20-7-9-36-37-13-20)11-22(26)29(40-43)30(34)45/h2-11,13-14,16,21,27H,12,15,17H2,1H3,(H2,34,45)(H,39,46).
What are the key properties of 1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 618.63 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[(6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-8-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).