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

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

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Related Compounds

4-methyl-2-[[4-[3-(4-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
CID 177177219
2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177243
2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177261
2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177245
2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine
CID 177177193
2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177312
4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine
CID 91832881
1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
CID 4318406
2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline
CID 86928124
4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline
CID 75434455
4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 56705526
6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline
CID 177177240

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).