(2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C20H25N5O2 — CID 70740617

IUPAC(2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3cc(N4CCCC4)ncn3)CC2)ccn1
InChIInChI=1S/C20H25N5O2/c1-27-19-12-16(4-7-21-19)20(26)25-10-5-15(6-11-25)17-13-18(23-14-22-17)24-8-2-3-9-24/h4,7,12-15H,2-3,5-6,8-11H2,1H3
InChIKeyLQUNVTDHMQVHCE-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.50
Rot. Bonds4

About (2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone

(2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 70740617) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID70740617
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3cc(N4CCCC4)ncn3)CC2)ccn1
InChIInChI=1S/C20H25N5O2/c1-27-19-12-16(4-7-21-19)20(26)25-10-5-15(6-11-25)17-13-18(23-14-22-17)24-8-2-3-9-24/h4,7,12-15H,2-3,5-6,8-11H2,1H3
InChIKeyLQUNVTDHMQVHCE-UHFFFAOYSA-N
XLogP2.50
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 122335043
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
(3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 70739574
[4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone
CID 72854787
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965
[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900074
(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200431
(6-methoxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343113

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 70740617) is (2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone is COc1cc(C(=O)N2CCC(c3cc(N4CCCC4)ncn3)CC2)ccn1.
What is the InChIKey of (2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is LQUNVTDHMQVHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-27-19-12-16(4-7-21-19)20(26)25-10-5-15(6-11-25)17-13-18(23-14-22-17)24-8-2-3-9-24/h4,7,12-15H,2-3,5-6,8-11H2,1H3.
What are the key properties of (2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
(2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70740617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).