[4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone

C24H30N6O2 — CID 92618214

IUPAC[4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCOc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)c3cnn(C)c3C)CC2)cc1
InChIInChI=1S/C24H30N6O2/c1-16-20(15-26-29(16)4)23(31)30-12-10-18(11-13-30)22-21(14-25-24(27-22)28(2)3)17-6-8-19(32-5)9-7-17/h6-9,14-15,18H,10-13H2,1-5H3
InChIKeySHGWLTDCSMTLNA-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.28
Rot. Bonds5

About [4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone

[4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone (PubChem CID 92618214) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is [4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
PubChem CID92618214
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name[4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCOc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)c3cnn(C)c3C)CC2)cc1
InChIInChI=1S/C24H30N6O2/c1-16-20(15-26-29(16)4)23(31)30-12-10-18(11-13-30)22-21(14-25-24(27-22)28(2)3)17-6-8-19(32-5)9-7-17/h6-9,14-15,18H,10-13H2,1-5H3
InChIKeySHGWLTDCSMTLNA-UHFFFAOYSA-N
XLogP3.28
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 92617753
6-[4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 92618393
1-[4-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92618094
(1,5-dimethylpyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51310306
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822826
1-[3-[2-(dimethylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 127251089
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822817
1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 92618137
4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
CID 127248675
[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 110266357
[3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865298
[4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 92618212

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of [4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone (CID 92618214) is [4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone is COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)c3cnn(C)c3C)CC2)cc1.
What is the InChIKey of [4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is SHGWLTDCSMTLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16-20(15-26-29(16)4)23(31)30-12-10-18(11-13-30)22-21(14-25-24(27-22)28(2)3)17-6-8-19(32-5)9-7-17/h6-9,14-15,18H,10-13H2,1-5H3.
What are the key properties of [4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
[4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 434.54 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 92618214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).