(6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C22H23N5O2 — CID 92565288

IUPAC(6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2)cn1
InChIInChI=1S/C22H23N5O2/c1-15-24-14-18(16-8-10-23-11-9-16)21(26-15)19-5-3-4-12-27(19)22(28)17-6-7-20(29-2)25-13-17/h6-11,13-14,19H,3-5,12H2,1-2H3/t19-/m0/s1
InChIKeyZCLNOKYAEWMEFC-IBGZPJMESA-N
MW389.46 g/mol
LogP3.62
Rot. Bonds4

About (6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

(6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 92565288) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID92565288
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2)cn1
InChIInChI=1S/C22H23N5O2/c1-15-24-14-18(16-8-10-23-11-9-16)21(26-15)19-5-3-4-12-27(19)22(28)17-6-7-20(29-2)25-13-17/h6-11,13-14,19H,3-5,12H2,1-2H3/t19-/m0/s1
InChIKeyZCLNOKYAEWMEFC-IBGZPJMESA-N
XLogP3.62
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92563591
[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92563590
(6-methoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124968333
2-(4-ethoxyphenyl)-1-[(2R)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 92593696
2-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 92565278
[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110218333
(6-methoxy-3-pyridinyl)-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone
CID 110118495
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[(2R)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 92592729
[(2S)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone
CID 92593179
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 110218342
2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 92565271

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 92565288) is (6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is ZCLNOKYAEWMEFC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-24-14-18(16-8-10-23-11-9-16)21(26-15)19-5-3-4-12-27(19)22(28)17-6-7-20(29-2)25-13-17/h6-11,13-14,19H,3-5,12H2,1-2H3/t19-/m0/s1.
What are the key properties of (6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
(6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 389.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92565288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).