(1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol

C23H24N6O — CID 133395870

IUPAC(1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C23H24N6O/c1-28-14-11-25-23(28)20(30)16-8-12-29(13-9-16)22-18-6-2-3-7-19(18)26-21(27-22)17-5-4-10-24-15-17/h2-7,10-11,14-16,20,30H,8-9,12-13H2,1H3
InChIKeyPTDINEOJUWELCM-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.38
Rot. Bonds4

About (1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol

(1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol (PubChem CID 133395870) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol
PubChem CID133395870
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name(1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C23H24N6O/c1-28-14-11-25-23(28)20(30)16-8-12-29(13-9-16)22-18-6-2-3-7-19(18)26-21(27-22)17-5-4-10-24-15-17/h2-7,10-11,14-16,20,30H,8-9,12-13H2,1H3
InChIKeyPTDINEOJUWELCM-UHFFFAOYSA-N
XLogP3.38
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol with MolForge

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Related Compounds

N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide
CID 133287736
(2R)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 95762506
(1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 72853066
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile
CID 133395785
4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 137470060
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133299396
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-pyridin-3-ylquinazoline
CID 133322897
N-phenyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-amine
CID 133363141

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol (CID 133395870) is (1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol is Cn1ccnc1C(O)C1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol?
The InChIKey is PTDINEOJUWELCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-28-14-11-25-23(28)20(30)16-8-12-29(13-9-16)22-18-6-2-3-7-19(18)26-21(27-22)17-5-4-10-24-15-17/h2-7,10-11,14-16,20,30H,8-9,12-13H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol?
(1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol has a molecular weight of 400.49 g/mol, XLogP of 3.38, 4 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-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 133395870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).