4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine

C26H31N7 — CID 142511473

IUPAC4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine
SMILESCc1cn2nc(C3=CC(=C4CCC4)N4C=C(N5C[C@@H](C)N[C@@H](C)C5)C=CC4=N3)cc(C)c2n1
InChIInChI=1S/C26H31N7/c1-16-10-23(30-33-14-19(4)28-26(16)33)22-11-24(20-6-5-7-20)32-15-21(8-9-25(32)29-22)31-12-17(2)27-18(3)13-31/h8-11,14-15,17-18,27H,5-7,12-13H2,1-4H3/t17-,18+
InChIKeyMBQSGMSMRCQLAC-HDICACEKSA-N
MW441.58 g/mol
LogP3.93
Rot. Bonds2

About 4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine

4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine (PubChem CID 142511473) has the molecular formula C26H31N7 and a molecular weight of 441.58 g/mol. Its IUPAC name is 4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine
PubChem CID142511473
Molecular FormulaC26H31N7
Molecular Weight441.58 g/mol
Exact Mass441.26
IUPAC Name4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine
SMILESCc1cn2nc(C3=CC(=C4CCC4)N4C=C(N5C[C@@H](C)N[C@@H](C)C5)C=CC4=N3)cc(C)c2n1
InChIInChI=1S/C26H31N7/c1-16-10-23(30-33-14-19(4)28-26(16)33)22-11-24(20-6-5-7-20)32-15-21(8-9-25(32)29-22)31-12-17(2)27-18(3)13-31/h8-11,14-15,17-18,27H,5-7,12-13H2,1-4H3/t17-,18+
InChIKeyMBQSGMSMRCQLAC-HDICACEKSA-N
XLogP3.93
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine?
The IUPAC name of 4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine (CID 142511473) is 4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine?
The canonical SMILES for 4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine is Cc1cn2nc(C3=CC(=C4CCC4)N4C=C(N5C[C@@H](C)N[C@@H](C)C5)C=CC4=N3)cc(C)c2n1.
What is the InChIKey of 4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine?
The InChIKey is MBQSGMSMRCQLAC-HDICACEKSA-N. The full InChI is InChI=1S/C26H31N7/c1-16-10-23(30-33-14-19(4)28-26(16)33)22-11-24(20-6-5-7-20)32-15-21(8-9-25(32)29-22)31-12-17(2)27-18(3)13-31/h8-11,14-15,17-18,27H,5-7,12-13H2,1-4H3/t17-,18+.
What are the key properties of 4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine?
4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine has a molecular weight of 441.58 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutylidene-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 142511473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).