2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline

C23H27N7 — CID 177177261

IUPAC2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
SMILESCc1nc(CN2CCC(c3cc(-c4cnc(C)n4C)n[nH]3)CC2)nc2ccccc12
InChIInChI=1S/C23H27N7/c1-15-18-6-4-5-7-19(18)26-23(25-15)14-30-10-8-17(9-11-30)20-12-21(28-27-20)22-13-24-16(2)29(22)3/h4-7,12-13,17H,8-11,14H2,1-3H3,(H,27,28)
InChIKeyHYDFBCSEWJNEGM-UHFFFAOYSA-N
MW401.52 g/mol
LogP3.75
Rot. Bonds4

About 2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline

2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline (PubChem CID 177177261) has the molecular formula C23H27N7 and a molecular weight of 401.52 g/mol. Its IUPAC name is 2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline.

Molecular Properties

Compound Name2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
PubChem CID177177261
Molecular FormulaC23H27N7
Molecular Weight401.52 g/mol
Exact Mass401.23
IUPAC Name2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
SMILESCc1nc(CN2CCC(c3cc(-c4cnc(C)n4C)n[nH]3)CC2)nc2ccccc12
InChIInChI=1S/C23H27N7/c1-15-18-6-4-5-7-19(18)26-23(25-15)14-30-10-8-17(9-11-30)20-12-21(28-27-20)22-13-24-16(2)29(22)3/h4-7,12-13,17H,8-11,14H2,1-3H3,(H,27,28)
InChIKeyHYDFBCSEWJNEGM-UHFFFAOYSA-N
XLogP3.75
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
The IUPAC name of 2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline (CID 177177261) is 2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline.
What is the SMILES notation for 2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
The canonical SMILES for 2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline is Cc1nc(CN2CCC(c3cc(-c4cnc(C)n4C)n[nH]3)CC2)nc2ccccc12.
What is the InChIKey of 2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
The InChIKey is HYDFBCSEWJNEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7/c1-15-18-6-4-5-7-19(18)26-23(25-15)14-30-10-8-17(9-11-30)20-12-21(28-27-20)22-13-24-16(2)29(22)3/h4-7,12-13,17H,8-11,14H2,1-3H3,(H,27,28).
What are the key properties of 2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline has a molecular weight of 401.52 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline is sourced from PubChem (CID 177177261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).