[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone

C27H25N5O2 — CID 124992005

IUPAC[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
SMILESCOc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3cncc(-c4cncnc4)c3)C2)n1
InChIInChI=1S/C27H25N5O2/c1-34-26-10-3-2-7-23(26)25-9-4-8-24(31-25)19-6-5-11-32(17-19)27(33)21-12-20(13-28-14-21)22-15-29-18-30-16-22/h2-4,7-10,12-16,18-19H,5-6,11,17H2,1H3/t19-/m1/s1
InChIKeyPNFZWPQXWPOPML-LJQANCHMSA-N
MW451.53 g/mol
LogP4.63
Rot. Bonds5

About [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone

[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone (PubChem CID 124992005) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
PubChem CID124992005
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
SMILESCOc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3cncc(-c4cncnc4)c3)C2)n1
InChIInChI=1S/C27H25N5O2/c1-34-26-10-3-2-7-23(26)25-9-4-8-24(31-25)19-6-5-11-32(17-19)27(33)21-12-20(13-28-14-21)22-15-29-18-30-16-22/h2-4,7-10,12-16,18-19H,5-6,11,17H2,1H3/t19-/m1/s1
InChIKeyPNFZWPQXWPOPML-LJQANCHMSA-N
XLogP4.63
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124975077
[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 129453428
[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124987464
[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 129454027
1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809333
2-(2-methoxyphenyl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
CID 95808900
[(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone
CID 124982819
1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809810
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808958
(3,4-dimethoxyphenyl)-[(3R)-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 95094815
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 126440128

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone?
The IUPAC name of [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone (CID 124992005) is [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone is COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3cncc(-c4cncnc4)c3)C2)n1.
What is the InChIKey of [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone?
The InChIKey is PNFZWPQXWPOPML-LJQANCHMSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-34-26-10-3-2-7-23(26)25-9-4-8-24(31-25)19-6-5-11-32(17-19)27(33)21-12-20(13-28-14-21)22-15-29-18-30-16-22/h2-4,7-10,12-16,18-19H,5-6,11,17H2,1H3/t19-/m1/s1.
What are the key properties of [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone?
[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone has a molecular weight of 451.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone is sourced from PubChem (CID 124992005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).