1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C24H26N6O — CID 11896077

IUPAC1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-n2ncc3c(N4CCN(c5cccc(C)c5)[C@@H](C)C4)ncnc32)cc1
InChIInChI=1S/C24H26N6O/c1-17-5-4-6-20(13-17)29-12-11-28(15-18(29)2)23-22-14-27-30(24(22)26-16-25-23)19-7-9-21(31-3)10-8-19/h4-10,13-14,16,18H,11-12,15H2,1-3H3/t18-/m0/s1
InChIKeyBBVQLXJRQLXUIF-SFHVURJKSA-N
MW414.51 g/mol
LogP3.85
Rot. Bonds4

About 1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 11896077) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID11896077
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-n2ncc3c(N4CCN(c5cccc(C)c5)[C@@H](C)C4)ncnc32)cc1
InChIInChI=1S/C24H26N6O/c1-17-5-4-6-20(13-17)29-12-11-28(15-18(29)2)23-22-14-27-30(24(22)26-16-25-23)19-7-9-21(31-3)10-8-19/h4-10,13-14,16,18H,11-12,15H2,1-3H3/t18-/m0/s1
InChIKeyBBVQLXJRQLXUIF-SFHVURJKSA-N
XLogP3.85
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1301905
(2S,6R)-4-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 866557
4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 1280386
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
1-(4-methoxyphenyl)-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 661214
7-methoxy-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole
CID 3818506
4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 3511177
4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 3756032
4-(4-benzylpiperazin-4-ium-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine
CID 7439304
4-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 72547760
5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide
CID 22512221
1-(3-chlorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 29105838

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 11896077) is 1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is COc1ccc(-n2ncc3c(N4CCN(c5cccc(C)c5)[C@@H](C)C4)ncnc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is BBVQLXJRQLXUIF-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26N6O/c1-17-5-4-6-20(13-17)29-12-11-28(15-18(29)2)23-22-14-27-30(24(22)26-16-25-23)19-7-9-21(31-3)10-8-19/h4-10,13-14,16,18H,11-12,15H2,1-3H3/t18-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 414.51 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 11896077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).