(1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol

C18H22N6O — CID 72853066

IUPAC(1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCc1nc(N2CCC(C(O)c3nccn3C)CC2)c2cccnc2n1
InChIInChI=1S/C18H22N6O/c1-12-21-16-14(4-3-7-19-16)17(22-12)24-9-5-13(6-10-24)15(25)18-20-8-11-23(18)2/h3-4,7-8,11,13,15,25H,5-6,9-10H2,1-2H3
InChIKeyQFFFYDOHRIGQQY-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.02
Rot. Bonds3

About (1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol

(1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 72853066) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
PubChem CID72853066
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCc1nc(N2CCC(C(O)c3nccn3C)CC2)c2cccnc2n1
InChIInChI=1S/C18H22N6O/c1-12-21-16-14(4-3-7-19-16)17(22-12)24-9-5-13(6-10-24)15(25)18-20-8-11-23(18)2/h3-4,7-8,11,13,15,25H,5-6,9-10H2,1-2H3
InChIKeyQFFFYDOHRIGQQY-UHFFFAOYSA-N
XLogP2.02
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol with MolForge

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Related Compounds

(1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol
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2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine
CID 72919850
(1-methylimidazol-2-yl)-[1-(4,5,6-trimethylpyrimidin-2-yl)piperidin-4-yl]methanol
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(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133395761
(R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97115224
4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile
CID 133395785
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133494977
(1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol
CID 133395796
(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 121496323

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol (CID 72853066) is (1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol is Cc1nc(N2CCC(C(O)c3nccn3C)CC2)c2cccnc2n1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is QFFFYDOHRIGQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-21-16-14(4-3-7-19-16)17(22-12)24-9-5-13(6-10-24)15(25)18-20-8-11-23(18)2/h3-4,7-8,11,13,15,25H,5-6,9-10H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
(1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 338.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 72853066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).