1-[2-[4-fluoro-2-[(6-methyl-1H-imidazo[4,5-c]pyridin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C26H23FN10O3 — CID 137434784

IUPAC1-[2-[4-fluoro-2-[(6-methyl-1H-imidazo[4,5-c]pyridin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCc1cc2[nH]cnc2c(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)n1
InChIInChI=1S/C26H23FN10O3/c1-13-6-18-23(30-12-29-18)25(33-13)34-26(40)20-8-16(27)10-36(20)21(38)11-37-19-3-2-14(15-4-5-31-32-9-15)7-17(19)22(35-37)24(28)39/h2-7,9,12,16,20H,8,10-11H2,1H3,(H2,28,39)(H,29,30)(H,33,34,40)
InChIKeyNXUSSDCBOBWJNJ-UHFFFAOYSA-N
MW542.54 g/mol
LogP1.75
Rot. Bonds6

About 1-[2-[4-fluoro-2-[(6-methyl-1H-imidazo[4,5-c]pyridin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[(6-methyl-1H-imidazo[4,5-c]pyridin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 137434784) has the molecular formula C26H23FN10O3 and a molecular weight of 542.54 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[(6-methyl-1H-imidazo[4,5-c]pyridin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[(6-methyl-1H-imidazo[4,5-c]pyridin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID137434784
Molecular FormulaC26H23FN10O3
Molecular Weight542.54 g/mol
Exact Mass542.19
IUPAC Name1-[2-[4-fluoro-2-[(6-methyl-1H-imidazo[4,5-c]pyridin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCc1cc2[nH]cnc2c(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)n1
InChIInChI=1S/C26H23FN10O3/c1-13-6-18-23(30-12-29-18)25(33-13)34-26(40)20-8-16(27)10-36(20)21(38)11-37-19-3-2-14(15-4-5-31-32-9-15)7-17(19)22(35-37)24(28)39/h2-7,9,12,16,20H,8,10-11H2,1H3,(H2,28,39)(H,29,30)(H,33,34,40)
InChIKeyNXUSSDCBOBWJNJ-UHFFFAOYSA-N
XLogP1.75
TPSA177.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.54
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[2-[4-fluoro-2-[(6-methyl-1H-imidazo[4,5-c]pyridin-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-[(6-methyl-1H-imidazo[4,5-c]pyridin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-2-[(6-methyl-1H-imidazo[4,5-c]pyridin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 137434784) is 1-[2-[4-fluoro-2-[(6-methyl-1H-imidazo[4,5-c]pyridin-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-[(6-methyl-1H-imidazo[4,5-c]pyridin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-2-[(6-methyl-1H-imidazo[4,5-c]pyridin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is Cc1cc2[nH]cnc2c(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)n1.
What is the InChIKey of 1-[2-[4-fluoro-2-[(6-methyl-1H-imidazo[4,5-c]pyridin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is NXUSSDCBOBWJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN10O3/c1-13-6-18-23(30-12-29-18)25(33-13)34-26(40)20-8-16(27)10-36(20)21(38)11-37-19-3-2-14(15-4-5-31-32-9-15)7-17(19)22(35-37)24(28)39/h2-7,9,12,16,20H,8,10-11H2,1H3,(H2,28,39)(H,29,30)(H,33,34,40).
What are the key properties of 1-[2-[4-fluoro-2-[(6-methyl-1H-imidazo[4,5-c]pyridin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[(6-methyl-1H-imidazo[4,5-c]pyridin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 542.54 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[(6-methyl-1H-imidazo[4,5-c]pyridin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 137434784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).