2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile

C23H24N6O — CID 166631949

IUPAC2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCc1c(Nc2ncc3ccc(C4(C#N)CC45CC5)cc3n2)cnn1C1CCOCC1
InChIInChI=1S/C23H24N6O/c1-15-20(12-26-29(15)18-4-8-30-9-5-18)28-21-25-11-16-2-3-17(10-19(16)27-21)23(14-24)13-22(23)6-7-22/h2-3,10-12,18H,4-9,13H2,1H3,(H,25,27,28)
InChIKeyLDOPDTHBQSPMNW-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.18
Rot. Bonds4

About 2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile

2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile (PubChem CID 166631949) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile.

Molecular Properties

Compound Name2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile
PubChem CID166631949
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCc1c(Nc2ncc3ccc(C4(C#N)CC45CC5)cc3n2)cnn1C1CCOCC1
InChIInChI=1S/C23H24N6O/c1-15-20(12-26-29(15)18-4-8-30-9-5-18)28-21-25-11-16-2-3-17(10-19(16)27-21)23(14-24)13-22(23)6-7-22/h2-3,10-12,18H,4-9,13H2,1H3,(H,25,27,28)
InChIKeyLDOPDTHBQSPMNW-UHFFFAOYSA-N
XLogP4.18
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile?
The IUPAC name of 2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile (CID 166631949) is 2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile.
What is the SMILES notation for 2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile?
The canonical SMILES for 2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile is Cc1c(Nc2ncc3ccc(C4(C#N)CC45CC5)cc3n2)cnn1C1CCOCC1.
What is the InChIKey of 2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile?
The InChIKey is LDOPDTHBQSPMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-15-20(12-26-29(15)18-4-8-30-9-5-18)28-21-25-11-16-2-3-17(10-19(16)27-21)23(14-24)13-22(23)6-7-22/h2-3,10-12,18H,4-9,13H2,1H3,(H,25,27,28).
What are the key properties of 2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile?
2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile has a molecular weight of 400.49 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]spiro[2.2]pentane-2-carbonitrile is sourced from PubChem (CID 166631949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).