[1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol

C20H22ClN5O — CID 175342095

IUPAC[1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCn1cc(-c2nc(-c3ccc(Cl)cc3)cc(N3CCCC(CO)C3)n2)cn1
InChIInChI=1S/C20H22ClN5O/c1-25-12-16(10-22-25)20-23-18(15-4-6-17(21)7-5-15)9-19(24-20)26-8-2-3-14(11-26)13-27/h4-7,9-10,12,14,27H,2-3,8,11,13H2,1H3
InChIKeySQQUDXARMYESAO-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.41
Rot. Bonds4

About [1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 175342095) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is [1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID175342095
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name[1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCn1cc(-c2nc(-c3ccc(Cl)cc3)cc(N3CCCC(CO)C3)n2)cn1
InChIInChI=1S/C20H22ClN5O/c1-25-12-16(10-22-25)20-23-18(15-4-6-17(21)7-5-15)9-19(24-20)26-8-2-3-14(11-26)13-27/h4-7,9-10,12,14,27H,2-3,8,11,13H2,1H3
InChIKeySQQUDXARMYESAO-UHFFFAOYSA-N
XLogP3.41
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 156866137
2-[4-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 156866176
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-N-methylpiperidin-3-amine
CID 175342252
[1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133299161
[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]azepan-3-ol
CID 156865963
[(3S,4S)-1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-3-fluoropiperidin-4-yl]methanol
CID 156866281
[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 86329188
[(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 90398462
2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid
CID 113378557
6-(4-chlorophenyl)-N-[1-(hydroxymethyl)-4-methylpiperidin-4-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
CID 175427753
1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 161147039

Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol (CID 175342095) is [1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol is Cn1cc(-c2nc(-c3ccc(Cl)cc3)cc(N3CCCC(CO)C3)n2)cn1.
What is the InChIKey of [1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is SQQUDXARMYESAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-25-12-16(10-22-25)20-23-18(15-4-6-17(21)7-5-15)9-19(24-20)26-8-2-3-14(11-26)13-27/h4-7,9-10,12,14,27H,2-3,8,11,13H2,1H3.
What are the key properties of [1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 383.88 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 175342095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).