2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine

C22H25N7 — CID 163828264

IUPAC2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine
SMILESC=C1C=C(c2cc3c(C)nc(C)cn3n2)N=C2C=CC(C3CCN(C)CC3)=NN12
InChIInChI=1S/C22H25N7/c1-14-13-28-21(16(3)23-14)12-20(25-28)19-11-15(2)29-22(24-19)6-5-18(26-29)17-7-9-27(4)10-8-17/h5-6,11-13,17H,2,7-10H2,1,3-4H3
InChIKeyOBLAVNVQBOFWBG-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.18
Rot. Bonds2

About 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine (PubChem CID 163828264) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine
PubChem CID163828264
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine
SMILESC=C1C=C(c2cc3c(C)nc(C)cn3n2)N=C2C=CC(C3CCN(C)CC3)=NN12
InChIInChI=1S/C22H25N7/c1-14-13-28-21(16(3)23-14)12-20(25-28)19-11-15(2)29-22(24-19)6-5-18(26-29)17-7-9-27(4)10-8-17/h5-6,11-13,17H,2,7-10H2,1,3-4H3
InChIKeyOBLAVNVQBOFWBG-UHFFFAOYSA-N
XLogP3.18
TPSA61.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine
CID 141381221
8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-(1-methylpiperidin-4-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123640628
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 135158933
2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole
CID 175764970
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-(4-methylpiperazin-1-yl)quinazoline
CID 156905453
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050866
8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123774297
2,5-dimethyl-4-(1-methylpiperidin-4-yl)pyridine
CID 177212810
8-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydropyridazino[1,6-a]azocin-10-one
CID 123794412
4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid
CID 116894072
2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine
CID 171542387
4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxamide
CID 156754889

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine?
The IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine (CID 163828264) is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine.
What is the SMILES notation for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine?
The canonical SMILES for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine is C=C1C=C(c2cc3c(C)nc(C)cn3n2)N=C2C=CC(C3CCN(C)CC3)=NN12.
What is the InChIKey of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine?
The InChIKey is OBLAVNVQBOFWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7/c1-14-13-28-21(16(3)23-14)12-20(25-28)19-11-15(2)29-22(24-19)6-5-18(26-29)17-7-9-27(4)10-8-17/h5-6,11-13,17H,2,7-10H2,1,3-4H3.
What are the key properties of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine?
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine has a molecular weight of 387.49 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine is sourced from PubChem (CID 163828264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).