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

C23H27N7 — CID 177177243

IUPAC2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
SMILESCc1n[nH]c(C)c1-c1cc(C2CCN(Cc3nc(C)c4ccccc4n3)CC2)[nH]n1
InChIInChI=1S/C23H27N7/c1-14-18-6-4-5-7-19(18)25-22(24-14)13-30-10-8-17(9-11-30)20-12-21(29-28-20)23-15(2)26-27-16(23)3/h4-7,12,17H,8-11,13H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyHGKONFDUOXUJAI-UHFFFAOYSA-N
MW401.52 g/mol
LogP4.05
Rot. Bonds4

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

2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline (PubChem CID 177177243) has the molecular formula C23H27N7 and a molecular weight of 401.52 g/mol. Its IUPAC name is 2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline.

Molecular Properties

Compound Name2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
PubChem CID177177243
Molecular FormulaC23H27N7
Molecular Weight401.52 g/mol
Exact Mass401.23
IUPAC Name2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
SMILESCc1n[nH]c(C)c1-c1cc(C2CCN(Cc3nc(C)c4ccccc4n3)CC2)[nH]n1
InChIInChI=1S/C23H27N7/c1-14-18-6-4-5-7-19(18)25-22(24-14)13-30-10-8-17(9-11-30)20-12-21(29-28-20)23-15(2)26-27-16(23)3/h4-7,12,17H,8-11,13H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyHGKONFDUOXUJAI-UHFFFAOYSA-N
XLogP4.05
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline with MolForge

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Related Compounds

2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177312
4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
CID 177177157
2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177261
4-methyl-2-[[4-[3-(4-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
CID 177177219
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-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline
CID 86928124
4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline
CID 75434455
4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine
CID 91832881
2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine
CID 177177193
1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110019975
(2R)-2-hydroxy-2-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]acetamide
CID 129490272
1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
CID 4318406

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
The IUPAC name of 2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline (CID 177177243) is 2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline.
What is the SMILES notation for 2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
The canonical SMILES for 2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline is Cc1n[nH]c(C)c1-c1cc(C2CCN(Cc3nc(C)c4ccccc4n3)CC2)[nH]n1.
What is the InChIKey of 2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
The InChIKey is HGKONFDUOXUJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7/c1-14-18-6-4-5-7-19(18)25-22(24-14)13-30-10-8-17(9-11-30)20-12-21(29-28-20)23-15(2)26-27-16(23)3/h4-7,12,17H,8-11,13H2,1-3H3,(H,26,27)(H,28,29).
What are the key properties of 2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline has a molecular weight of 401.52 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline is sourced from PubChem (CID 177177243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).