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

C21H22N6O — CID 166632787

IUPAC1-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]cyclopropane-1-carbonitrile
SMILESCc1c(Nc2ncc3ccc(C4(C#N)CC4)cc3n2)cnn1C1CCOCC1
InChIInChI=1S/C21H22N6O/c1-14-19(12-24-27(14)17-4-8-28-9-5-17)26-20-23-11-15-2-3-16(10-18(15)25-20)21(13-22)6-7-21/h2-3,10-12,17H,4-9H2,1H3,(H,23,25,26)
InChIKeyKBGOHRGLARPVAO-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.79
Rot. Bonds4

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

1-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]cyclopropane-1-carbonitrile (PubChem CID 166632787) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]cyclopropane-1-carbonitrile
PubChem CID166632787
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name1-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]cyclopropane-1-carbonitrile
SMILESCc1c(Nc2ncc3ccc(C4(C#N)CC4)cc3n2)cnn1C1CCOCC1
InChIInChI=1S/C21H22N6O/c1-14-19(12-24-27(14)17-4-8-28-9-5-17)26-20-23-11-15-2-3-16(10-18(15)25-20)21(13-22)6-7-21/h2-3,10-12,17H,4-9H2,1H3,(H,23,25,26)
InChIKeyKBGOHRGLARPVAO-UHFFFAOYSA-N
XLogP3.79
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]cyclopropane-1-carbonitrile (CID 166632787) is 1-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]cyclopropane-1-carbonitrile is Cc1c(Nc2ncc3ccc(C4(C#N)CC4)cc3n2)cnn1C1CCOCC1.
What is the InChIKey of 1-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]cyclopropane-1-carbonitrile?
The InChIKey is KBGOHRGLARPVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-14-19(12-24-27(14)17-4-8-28-9-5-17)26-20-23-11-15-2-3-16(10-18(15)25-20)21(13-22)6-7-21/h2-3,10-12,17H,4-9H2,1H3,(H,23,25,26).
What are the key properties of 1-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]cyclopropane-1-carbonitrile?
1-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]cyclopropane-1-carbonitrile has a molecular weight of 374.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 166632787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).