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

C26H22FN9O3S — CID 144912327

About 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

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 (PubChem CID 144912327) has the molecular formula C26H22FN9O3S and a molecular weight of 559.59 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 144912327
• Molecular Formula: C26H22FN9O3S
• Molecular Weight: 559.59 g/mol
• Exact Mass: 559.16
• IUPAC Name: 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
• SMILES: Cc1nccc2sc(NC(=O)C3CC(F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)nc12
• InChI: InChI=1S/C26H22FN9O3S/c1-13-22-20(5-6-29-13)40-26(32-22)33-25(39)19-9-16(27)11-35(19)21(37)12-36-18-3-2-14(15-4-7-30-31-10-15)8-17(18)23(34-36)24(28)38/h2-8,10,16,19H,9,11-12H2,1H3,(H2,28,38)(H,32,33,39)
• InChIKey: MIHVVLAIJUAQAW-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 161.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.59
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1nccc2sc(NC(=O)C3CC(F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)nc12.

What is the InChIKey of 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?

The InChIKey is MIHVVLAIJUAQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN9O3S/c1-13-22-20(5-6-29-13)40-26(32-22)33-25(39)19-9-16(27)11-35(19)21(37)12-36-18-3-2-14(15-4-7-30-31-10-15)8-17(18)23(34-36)24(28)38/h2-8,10,16,19H,9,11-12H2,1H3,(H2,28,38)(H,32,33,39).

What are the key properties of 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?

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 has a molecular weight of 559.59 g/mol, XLogP of 2.48, 6 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-[(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 144912327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).