N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C28H21FN8OS — CID 118537096

IUPACN-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)Nc1cn2nc(-c3cn(C4CC4)nc3-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C28H21FN8OS/c1-16-26(39-28(31-16)22-4-2-3-13-30-22)27(38)33-23-15-37-24(32-23)12-11-21(34-37)20-14-36(19-9-10-19)35-25(20)17-5-7-18(29)8-6-17/h2-8,11-15,19H,9-10H2,1H3,(H,33,38)
InChIKeyLEKUIRWKAYGRCR-UHFFFAOYSA-N
MW536.60 g/mol
LogP5.81
Rot. Bonds6

About N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 118537096) has the molecular formula C28H21FN8OS and a molecular weight of 536.60 g/mol. Its IUPAC name is N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID118537096
Molecular FormulaC28H21FN8OS
Molecular Weight536.60 g/mol
Exact Mass536.15
IUPAC NameN-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)Nc1cn2nc(-c3cn(C4CC4)nc3-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C28H21FN8OS/c1-16-26(39-28(31-16)22-4-2-3-13-30-22)27(38)33-23-15-37-24(32-23)12-11-21(34-37)20-14-36(19-9-10-19)35-25(20)17-5-7-18(29)8-6-17/h2-8,11-15,19H,9-10H2,1H3,(H,33,38)
InChIKeyLEKUIRWKAYGRCR-UHFFFAOYSA-N
XLogP5.81
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.60
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 118537096) is N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)Nc1cn2nc(-c3cn(C4CC4)nc3-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is LEKUIRWKAYGRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN8OS/c1-16-26(39-28(31-16)22-4-2-3-13-30-22)27(38)33-23-15-37-24(32-23)12-11-21(34-37)20-14-36(19-9-10-19)35-25(20)17-5-7-18(29)8-6-17/h2-8,11-15,19H,9-10H2,1H3,(H,33,38).
What are the key properties of N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 536.60 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118537096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).