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

C30H26FN9OS — CID 118539013

IUPACN-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-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)ncn3C3CCNCC3)ccc2n1
InChIInChI=1S/C30H26FN9OS/c1-18-28(42-30(35-18)20-3-2-12-33-15-20)29(41)37-24-16-40-25(36-24)9-8-23(38-40)27-26(19-4-6-21(31)7-5-19)34-17-39(27)22-10-13-32-14-11-22/h2-9,12,15-17,22,32H,10-11,13-14H2,1H3,(H,37,41)
InChIKeyKMEDJOJTZSBQHO-UHFFFAOYSA-N
MW579.67 g/mol
LogP5.40
Rot. Bonds6

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

N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 118539013) has the molecular formula C30H26FN9OS and a molecular weight of 579.67 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-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-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID118539013
Molecular FormulaC30H26FN9OS
Molecular Weight579.67 g/mol
Exact Mass579.20
IUPAC NameN-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-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)ncn3C3CCNCC3)ccc2n1
InChIInChI=1S/C30H26FN9OS/c1-18-28(42-30(35-18)20-3-2-12-33-15-20)29(41)37-24-16-40-25(36-24)9-8-23(38-40)27-26(19-4-6-21(31)7-5-19)34-17-39(27)22-10-13-32-14-11-22/h2-9,12,15-17,22,32H,10-11,13-14H2,1H3,(H,37,41)
InChIKeyKMEDJOJTZSBQHO-UHFFFAOYSA-N
XLogP5.40
TPSA114.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.67
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-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-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 118539013) is N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-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-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-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-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-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)ncn3C3CCNCC3)ccc2n1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KMEDJOJTZSBQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN9OS/c1-18-28(42-30(35-18)20-3-2-12-33-15-20)29(41)37-24-16-40-25(36-24)9-8-23(38-40)27-26(19-4-6-21(31)7-5-19)34-17-39(27)22-10-13-32-14-11-22/h2-9,12,15-17,22,32H,10-11,13-14H2,1H3,(H,37,41).
What are the key properties of N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-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 579.67 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-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 118539013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).