1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C33H34FN9O4 — CID 147720234

IUPAC1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCc1cc2c(c(=O)n1C1CCCCC1)C(NC(=O)C1CC(F)CN1C(=O)Cn1nc(C(N)=O)c3cc(-c4ccnnc4)ccc31)=NC2
InChIInChI=1S/C33H34FN9O4/c1-18-11-21-14-36-31(28(21)33(47)43(18)23-5-3-2-4-6-23)39-32(46)26-13-22(34)16-41(26)27(44)17-42-25-8-7-19(20-9-10-37-38-15-20)12-24(25)29(40-42)30(35)45/h7-12,15,22-23,26H,2-6,13-14,16-17H2,1H3,(H2,35,45)(H,36,39,46)
InChIKeyGWKSDOWAJWQLFN-UHFFFAOYSA-N
MW639.69 g/mol
LogP2.58
Rot. Bonds6

About 1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 147720234) has the molecular formula C33H34FN9O4 and a molecular weight of 639.69 g/mol. Its IUPAC name is 1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID147720234
Molecular FormulaC33H34FN9O4
Molecular Weight639.69 g/mol
Exact Mass639.27
IUPAC Name1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCc1cc2c(c(=O)n1C1CCCCC1)C(NC(=O)C1CC(F)CN1C(=O)Cn1nc(C(N)=O)c3cc(-c4ccnnc4)ccc31)=NC2
InChIInChI=1S/C33H34FN9O4/c1-18-11-21-14-36-31(28(21)33(47)43(18)23-5-3-2-4-6-23)39-32(46)26-13-22(34)16-41(26)27(44)17-42-25-8-7-19(20-9-10-37-38-15-20)12-24(25)29(40-42)30(35)45/h7-12,15,22-23,26H,2-6,13-14,16-17H2,1H3,(H2,35,45)(H,36,39,46)
InChIKeyGWKSDOWAJWQLFN-UHFFFAOYSA-N
XLogP2.58
TPSA170.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.69
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide with MolForge

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Related Compounds

1-[2-[2-[(2-cyano-5H-pyrrolo[3,4-b]pyridin-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 147419591
1-[2-[2-[[4-(aminomethyl)phenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334483
1-[2-[(2S,4R)-2-[[4-(aminomethyl)phenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118323753
1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 126643410
1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 123183892
1-[2-[4-fluoro-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 136999825
1-[2-[4-fluoro-2-[(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 144912327
1-[2-[2-[[5-[chloro(difluoro)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334414
1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334434
1-[2-[4-fluoro-2-[[1-(2-oxooxolan-3-yl)pyrazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334445
1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 123951412
1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334437

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 147720234) is 1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is Cc1cc2c(c(=O)n1C1CCCCC1)C(NC(=O)C1CC(F)CN1C(=O)Cn1nc(C(N)=O)c3cc(-c4ccnnc4)ccc31)=NC2.
What is the InChIKey of 1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is GWKSDOWAJWQLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN9O4/c1-18-11-21-14-36-31(28(21)33(47)43(18)23-5-3-2-4-6-23)39-32(46)26-13-22(34)16-41(26)27(44)17-42-25-8-7-19(20-9-10-37-38-15-20)12-24(25)29(40-42)30(35)45/h7-12,15,22-23,26H,2-6,13-14,16-17H2,1H3,(H2,35,45)(H,36,39,46).
What are the key properties of 1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 639.69 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,4-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 147720234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).