3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one

C24H29N7O2 — CID 139311442

IUPAC3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESCc1nn(-c2ccc3ncc(C)n3n2)c(C)c1CCC(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C24H29N7O2/c1-17-15-25-22-7-8-23(27-30(17)22)31-19(3)21(18(2)26-31)6-9-24(32)29-12-10-28(11-13-29)16-20-5-4-14-33-20/h4-5,7-8,14-15H,6,9-13,16H2,1-3H3
InChIKeyFMRCHQPVCMBZPK-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.71
Rot. Bonds6

About 3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one

3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 139311442) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID139311442
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESCc1nn(-c2ccc3ncc(C)n3n2)c(C)c1CCC(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C24H29N7O2/c1-17-15-25-22-7-8-23(27-30(17)22)31-19(3)21(18(2)26-31)6-9-24(32)29-12-10-28(11-13-29)16-20-5-4-14-33-20/h4-5,7-8,14-15H,6,9-13,16H2,1-3H3
InChIKeyFMRCHQPVCMBZPK-UHFFFAOYSA-N
XLogP2.71
TPSA84.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one (CID 139311442) is 3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one is Cc1nn(-c2ccc3ncc(C)n3n2)c(C)c1CCC(=O)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is FMRCHQPVCMBZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-17-15-25-22-7-8-23(27-30(17)22)31-19(3)21(18(2)26-31)6-9-24(32)29-12-10-28(11-13-29)16-20-5-4-14-33-20/h4-5,7-8,14-15H,6,9-13,16H2,1-3H3.
What are the key properties of 3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one?
3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 447.54 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 139311442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).