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

C24H29N7O — CID 177177312

IUPAC2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
SMILESCOc1c(-c2cc(C3CCN(Cc4nc(C)c5ccccc5n4)CC3)[nH]n2)c(C)nn1C
InChIInChI=1S/C24H29N7O/c1-15-18-7-5-6-8-19(18)26-22(25-15)14-31-11-9-17(10-12-31)20-13-21(28-27-20)23-16(2)29-30(3)24(23)32-4/h5-8,13,17H,9-12,14H2,1-4H3,(H,27,28)
InChIKeyAJZQCGDUNHLLHP-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.76
Rot. Bonds5

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

2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline (PubChem CID 177177312) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline.

Molecular Properties

Compound Name2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
PubChem CID177177312
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
SMILESCOc1c(-c2cc(C3CCN(Cc4nc(C)c5ccccc5n4)CC3)[nH]n2)c(C)nn1C
InChIInChI=1S/C24H29N7O/c1-15-18-7-5-6-8-19(18)26-22(25-15)14-31-11-9-17(10-12-31)20-13-21(28-27-20)23-16(2)29-30(3)24(23)32-4/h5-8,13,17H,9-12,14H2,1-4H3,(H,27,28)
InChIKeyAJZQCGDUNHLLHP-UHFFFAOYSA-N
XLogP3.76
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
The IUPAC name of 2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline (CID 177177312) is 2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline.
What is the SMILES notation for 2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
The canonical SMILES for 2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline is COc1c(-c2cc(C3CCN(Cc4nc(C)c5ccccc5n4)CC3)[nH]n2)c(C)nn1C.
What is the InChIKey of 2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
The InChIKey is AJZQCGDUNHLLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-15-18-7-5-6-8-19(18)26-22(25-15)14-31-11-9-17(10-12-31)20-13-21(28-27-20)23-16(2)29-30(3)24(23)32-4/h5-8,13,17H,9-12,14H2,1-4H3,(H,27,28).
What are the key properties of 2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline has a molecular weight of 431.54 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline is sourced from PubChem (CID 177177312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).