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

C32H30FN9OS — CID 90241366

IUPACN-[6-[3-(4-fluorophenyl)-1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCN(C)CC3)ccc2n1
InChIInChI=1S/C32H30FN9OS/c1-19-30(44-32(35-19)22-5-4-14-34-17-22)31(43)37-25-18-42-26(36-25)11-10-24(38-42)27-28(20-6-8-23(33)9-7-20)39-41(3)29(27)21-12-15-40(2)16-13-21/h4-11,14,17-18,21H,12-13,15-16H2,1-3H3,(H,37,43)
InChIKeyCKGPDAVXBRCHHB-UHFFFAOYSA-N
MW607.72 g/mol
LogP5.82
Rot. Bonds6

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

N-[6-[3-(4-fluorophenyl)-1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 90241366) has the molecular formula C32H30FN9OS and a molecular weight of 607.72 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID90241366
Molecular FormulaC32H30FN9OS
Molecular Weight607.72 g/mol
Exact Mass607.23
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCN(C)CC3)ccc2n1
InChIInChI=1S/C32H30FN9OS/c1-19-30(44-32(35-19)22-5-4-14-34-17-22)31(43)37-25-18-42-26(36-25)11-10-24(38-42)27-28(20-6-8-23(33)9-7-20)39-41(3)29(27)21-12-15-40(2)16-13-21/h4-11,14,17-18,21H,12-13,15-16H2,1-3H3,(H,37,43)
InChIKeyCKGPDAVXBRCHHB-UHFFFAOYSA-N
XLogP5.82
TPSA106.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.72
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 90241366) is N-[6-[3-(4-fluorophenyl)-1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCN(C)CC3)ccc2n1.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is CKGPDAVXBRCHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN9OS/c1-19-30(44-32(35-19)22-5-4-14-34-17-22)31(43)37-25-18-42-26(36-25)11-10-24(38-42)27-28(20-6-8-23(33)9-7-20)39-41(3)29(27)21-12-15-40(2)16-13-21/h4-11,14,17-18,21H,12-13,15-16H2,1-3H3,(H,37,43).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-[6-[3-(4-fluorophenyl)-1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 607.72 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(4-fluorophenyl)-1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90241366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).