(3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C20H29N7O2 — CID 122339747

IUPAC(3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCN(c2cc(C)nc(N3CCCCC3)n2)CC1
InChIInChI=1S/C20H29N7O2/c1-15-13-17(22-20(21-15)27-7-5-4-6-8-27)25-9-11-26(12-10-25)19(28)16-14-24(2)23-18(16)29-3/h13-14H,4-12H2,1-3H3
InChIKeyUPMZXXBEPOLWRH-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.48
Rot. Bonds4

About (3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122339747) has the molecular formula C20H29N7O2 and a molecular weight of 399.50 g/mol. Its IUPAC name is (3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122339747
Molecular FormulaC20H29N7O2
Molecular Weight399.50 g/mol
Exact Mass399.24
IUPAC Name(3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCN(c2cc(C)nc(N3CCCCC3)n2)CC1
InChIInChI=1S/C20H29N7O2/c1-15-13-17(22-20(21-15)27-7-5-4-6-8-27)25-9-11-26(12-10-25)19(28)16-14-24(2)23-18(16)29-3/h13-14H,4-12H2,1-3H3
InChIKeyUPMZXXBEPOLWRH-UHFFFAOYSA-N
XLogP1.48
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2-bromo-5-methoxyphenyl)-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333358
[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122346612
(2-methylphenyl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047604
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122351707
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 122333055
(3-methoxy-1-methylpyrazol-4-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122344784
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
(2,4-dichlorophenyl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047592
(3,5-dimethylphenyl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 18566524
(5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333073
(2-chloro-4-fluorophenyl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122339747) is (3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is COc1nn(C)cc1C(=O)N1CCN(c2cc(C)nc(N3CCCCC3)n2)CC1.
What is the InChIKey of (3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is UPMZXXBEPOLWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O2/c1-15-13-17(22-20(21-15)27-7-5-4-6-8-27)25-9-11-26(12-10-25)19(28)16-14-24(2)23-18(16)29-3/h13-14H,4-12H2,1-3H3.
What are the key properties of (3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 399.50 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122339747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).