(1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone

C25H24N6O — CID 178170005

IUPAC(1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)N1CC2(CCN(c3ncnc4ccccc34)CC2)C1
InChIInChI=1S/C25H24N6O/c32-24(19-14-28-31(15-19)20-6-2-1-3-7-20)30-16-25(17-30)10-12-29(13-11-25)23-21-8-4-5-9-22(21)26-18-27-23/h1-9,14-15,18H,10-13,16-17H2
InChIKeyQMPASZWFDLLIBL-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.56
Rot. Bonds3

About (1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone

(1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone (PubChem CID 178170005) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is (1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone.

Molecular Properties

Compound Name(1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
PubChem CID178170005
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name(1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)N1CC2(CCN(c3ncnc4ccccc34)CC2)C1
InChIInChI=1S/C25H24N6O/c32-24(19-14-28-31(15-19)20-6-2-1-3-7-20)30-16-25(17-30)10-12-29(13-11-25)23-21-8-4-5-9-22(21)26-18-27-23/h1-9,14-15,18H,10-13,16-17H2
InChIKeyQMPASZWFDLLIBL-UHFFFAOYSA-N
XLogP3.56
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid
CID 106983135
(1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024013
[3-(chloromethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 63396082
2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 56903524
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 37131059
1,4-diazepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 28742263
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 38168481
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
4-(azepan-1-yl)quinazoline
CID 5207391
(3aS,6aR)-2-(1-phenylpyrazole-4-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683679
ethane;1-[(1-phenylpyrazol-4-yl)methyl]-N-prop-2-enyl-4-quinazolin-4-ylpiperazine-2-carboxamide
CID 178169992

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone?
The IUPAC name of (1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone (CID 178170005) is (1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone.
What is the SMILES notation for (1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone?
The canonical SMILES for (1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone is O=C(c1cnn(-c2ccccc2)c1)N1CC2(CCN(c3ncnc4ccccc34)CC2)C1.
What is the InChIKey of (1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone?
The InChIKey is QMPASZWFDLLIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c32-24(19-14-28-31(15-19)20-6-2-1-3-7-20)30-16-25(17-30)10-12-29(13-11-25)23-21-8-4-5-9-22(21)26-18-27-23/h1-9,14-15,18H,10-13,16-17H2.
What are the key properties of (1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone?
(1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone has a molecular weight of 424.51 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-4-yl)-(7-quinazolin-4-yl-2,7-diazaspiro[3.5]nonan-2-yl)methanone is sourced from PubChem (CID 178170005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).