1-[2-[4-fluoro-2-[(4-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C25H21FN10O3S — CID 118334430

IUPAC1-[2-[4-fluoro-2-[(4-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2nc(-n3ccnc3)cs2)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C25H21FN10O3S/c26-16-8-19(24(39)32-25-31-20(12-40-25)34-6-5-28-13-34)35(10-16)21(37)11-36-18-2-1-14(15-3-4-29-30-9-15)7-17(18)22(33-36)23(27)38/h1-7,9,12-13,16,19H,8,10-11H2,(H2,27,38)(H,31,32,39)
InChIKeyNRROYZWUUUQMIO-UHFFFAOYSA-N
MW560.58 g/mol
LogP1.81
Rot. Bonds7

About 1-[2-[4-fluoro-2-[(4-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[(4-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334430) has the molecular formula C25H21FN10O3S and a molecular weight of 560.58 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[(4-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[(4-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID118334430
Molecular FormulaC25H21FN10O3S
Molecular Weight560.58 g/mol
Exact Mass560.15
IUPAC Name1-[2-[4-fluoro-2-[(4-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2nc(-n3ccnc3)cs2)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C25H21FN10O3S/c26-16-8-19(24(39)32-25-31-20(12-40-25)34-6-5-28-13-34)35(10-16)21(37)11-36-18-2-1-14(15-3-4-29-30-9-15)7-17(18)22(33-36)23(27)38/h1-7,9,12-13,16,19H,8,10-11H2,(H2,27,38)(H,31,32,39)
InChIKeyNRROYZWUUUQMIO-UHFFFAOYSA-N
XLogP1.81
TPSA166.81 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.58
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-[2-[4-fluoro-2-[(4-imidazol-1-yl-1,3-thiazol-2-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-[(4-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-2-[(4-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334430) is 1-[2-[4-fluoro-2-[(4-imidazol-1-yl-1,3-thiazol-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-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-2-[(4-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2nc(-n3ccnc3)cs2)c2ccc(-c3ccnnc3)cc12.
What is the InChIKey of 1-[2-[4-fluoro-2-[(4-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is NRROYZWUUUQMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN10O3S/c26-16-8-19(24(39)32-25-31-20(12-40-25)34-6-5-28-13-34)35(10-16)21(37)11-36-18-2-1-14(15-3-4-29-30-9-15)7-17(18)22(33-36)23(27)38/h1-7,9,12-13,16,19H,8,10-11H2,(H2,27,38)(H,31,32,39).
What are the key properties of 1-[2-[4-fluoro-2-[(4-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[(4-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 560.58 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[(4-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).