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

C32H30FN9O2S — CID 118538905

IUPACN-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccncc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCN(CCO)CC3)ccc2n1
InChIInChI=1S/C32H30FN9O2S/c1-20-30(45-32(36-20)22-8-12-34-13-9-22)31(44)38-26-18-42-27(37-26)7-6-25(39-42)29-28(21-2-4-23(33)5-3-21)35-19-41(29)24-10-14-40(15-11-24)16-17-43/h2-9,12-13,18-19,24,43H,10-11,14-17H2,1H3,(H,38,44)
InChIKeyDTSOYYOYZTUHSR-UHFFFAOYSA-N
MW623.72 g/mol
LogP5.11
Rot. Bonds8

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

N-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 118538905) has the molecular formula C32H30FN9O2S and a molecular weight of 623.72 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID118538905
Molecular FormulaC32H30FN9O2S
Molecular Weight623.72 g/mol
Exact Mass623.22
IUPAC NameN-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccncc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCN(CCO)CC3)ccc2n1
InChIInChI=1S/C32H30FN9O2S/c1-20-30(45-32(36-20)22-8-12-34-13-9-22)31(44)38-26-18-42-27(37-26)7-6-25(39-42)29-28(21-2-4-23(33)5-3-21)35-19-41(29)24-10-14-40(15-11-24)16-17-43/h2-9,12-13,18-19,24,43H,10-11,14-17H2,1H3,(H,38,44)
InChIKeyDTSOYYOYZTUHSR-UHFFFAOYSA-N
XLogP5.11
TPSA126.36 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500623.72
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 118538905) is N-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccncc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCN(CCO)CC3)ccc2n1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DTSOYYOYZTUHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN9O2S/c1-20-30(45-32(36-20)22-8-12-34-13-9-22)31(44)38-26-18-42-27(37-26)7-6-25(39-42)29-28(21-2-4-23(33)5-3-21)35-19-41(29)24-10-14-40(15-11-24)16-17-43/h2-9,12-13,18-19,24,43H,10-11,14-17H2,1H3,(H,38,44).
What are the key properties of N-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
N-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 623.72 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118538905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).