2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine

C24H30N6 — CID 141381221

IUPAC2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine
SMILESCCCN1CCC(C2=CN3CC=C(c4cc5c(C)nc(C)cn5n4)N=C3C=C2)CC1
InChIInChI=1S/C24H30N6/c1-4-10-28-11-7-19(8-12-28)20-5-6-24-26-21(9-13-29(24)16-20)22-14-23-18(3)25-17(2)15-30(23)27-22/h5-6,9,14-16,19H,4,7-8,10-13H2,1-3H3
InChIKeyZNCDETTYJIANRX-UHFFFAOYSA-N
MW402.55 g/mol
LogP3.98
Rot. Bonds4

About 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine (PubChem CID 141381221) has the molecular formula C24H30N6 and a molecular weight of 402.55 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine
PubChem CID141381221
Molecular FormulaC24H30N6
Molecular Weight402.55 g/mol
Exact Mass402.25
IUPAC Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine
SMILESCCCN1CCC(C2=CN3CC=C(c4cc5c(C)nc(C)cn5n4)N=C3C=C2)CC1
InChIInChI=1S/C24H30N6/c1-4-10-28-11-7-19(8-12-28)20-5-6-24-26-21(9-13-29(24)16-20)22-14-23-18(3)25-17(2)15-30(23)27-22/h5-6,9,14-16,19H,4,7-8,10-13H2,1-3H3
InChIKeyZNCDETTYJIANRX-UHFFFAOYSA-N
XLogP3.98
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine
CID 163828264
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)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 158958021
2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)-4H-pyrazino[1,2-a]pyrimidine
CID 141381123
7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine
CID 175765026
3-[4-(diethylamino)piperidin-1-yl]-8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123446416
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-(4-methylpiperazin-1-yl)quinazoline
CID 156905453
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
7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 159404900
1-methyl-3-[(3S)-1-propylpyrrolidin-3-yl]pyrazol-5-amine
CID 165389416
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050866

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine (CID 141381221) is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine is CCCN1CCC(C2=CN3CC=C(c4cc5c(C)nc(C)cn5n4)N=C3C=C2)CC1.
What is the InChIKey of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is ZNCDETTYJIANRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6/c1-4-10-28-11-7-19(8-12-28)20-5-6-24-26-21(9-13-29(24)16-20)22-14-23-18(3)25-17(2)15-30(23)27-22/h5-6,9,14-16,19H,4,7-8,10-13H2,1-3H3.
What are the key properties of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine?
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 402.55 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 141381221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).