pyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol

C20H21N5O — CID 72918650

IUPACpyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol
SMILESOC(c1ccccn1)C1CCN(c2nccc(-c3ccccn3)n2)CC1
InChIInChI=1S/C20H21N5O/c26-19(18-6-2-4-11-22-18)15-8-13-25(14-9-15)20-23-12-7-17(24-20)16-5-1-3-10-21-16/h1-7,10-12,15,19,26H,8-9,13-14H2
InChIKeyCNEXKDZIZUHINO-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.88
Rot. Bonds4

About pyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol

pyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol (PubChem CID 72918650) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is pyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Namepyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol
PubChem CID72918650
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Namepyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol
SMILESOC(c1ccccn1)C1CCN(c2nccc(-c3ccccn3)n2)CC1
InChIInChI=1S/C20H21N5O/c26-19(18-6-2-4-11-22-18)15-8-13-25(14-9-15)20-23-12-7-17(24-20)16-5-1-3-10-21-16/h1-7,10-12,15,19,26H,8-9,13-14H2
InChIKeyCNEXKDZIZUHINO-UHFFFAOYSA-N
XLogP2.88
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-pyridin-2-ylmethanol
CID 39809044
3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 74243204
(R)-[1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 99933667
2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-4-pyridin-2-ylpyrimidine
CID 72890172
(3R,4S)-4-[4-(4-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]oxolan-3-ol
CID 74236984
2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole
CID 163351978
[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278821
pyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol
CID 134698380
(R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol
CID 95894050
4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 163352081
2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 99937481
(3S,4S)-4-(4-methylpiperazin-1-yl)-1-(4-pyridin-2-ylpyrimidin-2-yl)pyrrolidin-3-ol
CID 74240047

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol?
The IUPAC name of pyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol (CID 72918650) is pyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for pyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for pyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol is OC(c1ccccn1)C1CCN(c2nccc(-c3ccccn3)n2)CC1.
What is the InChIKey of pyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol?
The InChIKey is CNEXKDZIZUHINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-19(18-6-2-4-11-22-18)15-8-13-25(14-9-15)20-23-12-7-17(24-20)16-5-1-3-10-21-16/h1-7,10-12,15,19,26H,8-9,13-14H2.
What are the key properties of pyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol?
pyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol has a molecular weight of 347.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 72918650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).