4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline

C24H26N6 — CID 177177157

IUPAC4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
SMILESCc1ncccc1-c1cc(C2CCN(Cc3nc(C)c4ccccc4n3)CC2)[nH]n1
InChIInChI=1S/C24H26N6/c1-16-19(7-5-11-25-16)23-14-22(28-29-23)18-9-12-30(13-10-18)15-24-26-17(2)20-6-3-4-8-21(20)27-24/h3-8,11,14,18H,9-10,12-13,15H2,1-2H3,(H,28,29)
InChIKeyNWHYRVZSLBBILT-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.41
Rot. Bonds4

About 4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline

4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline (PubChem CID 177177157) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline.

Molecular Properties

Compound Name4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
PubChem CID177177157
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
SMILESCc1ncccc1-c1cc(C2CCN(Cc3nc(C)c4ccccc4n3)CC2)[nH]n1
InChIInChI=1S/C24H26N6/c1-16-19(7-5-11-25-16)23-14-22(28-29-23)18-9-12-30(13-10-18)15-24-26-17(2)20-6-3-4-8-21(20)27-24/h3-8,11,14,18H,9-10,12-13,15H2,1-2H3,(H,28,29)
InChIKeyNWHYRVZSLBBILT-UHFFFAOYSA-N
XLogP4.41
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline?
The IUPAC name of 4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline (CID 177177157) is 4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline.
What is the SMILES notation for 4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline?
The canonical SMILES for 4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline is Cc1ncccc1-c1cc(C2CCN(Cc3nc(C)c4ccccc4n3)CC2)[nH]n1.
What is the InChIKey of 4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline?
The InChIKey is NWHYRVZSLBBILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-16-19(7-5-11-25-16)23-14-22(28-29-23)18-9-12-30(13-10-18)15-24-26-17(2)20-6-3-4-8-21(20)27-24/h3-8,11,14,18H,9-10,12-13,15H2,1-2H3,(H,28,29).
What are the key properties of 4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline?
4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline has a molecular weight of 398.51 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline is sourced from PubChem (CID 177177157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).