8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide

C17H22N6O2 — CID 167439294

IUPAC8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC1(C)Cc2cnc(N)nc2-c2c1c(C(N)=O)nn2C1CCCCO1
InChIInChI=1S/C17H22N6O2/c1-17(2)7-9-8-20-16(19)21-12(9)14-11(17)13(15(18)24)22-23(14)10-5-3-4-6-25-10/h8,10H,3-7H2,1-2H3,(H2,18,24)(H2,19,20,21)
InChIKeyGYVBYUFDJQTXFO-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.55
Rot. Bonds2

About 8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide

8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 167439294) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID167439294
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC1(C)Cc2cnc(N)nc2-c2c1c(C(N)=O)nn2C1CCCCO1
InChIInChI=1S/C17H22N6O2/c1-17(2)7-9-8-20-16(19)21-12(9)14-11(17)13(15(18)24)22-23(14)10-5-3-4-6-25-10/h8,10H,3-7H2,1-2H3,(H2,18,24)(H2,19,20,21)
InChIKeyGYVBYUFDJQTXFO-UHFFFAOYSA-N
XLogP1.55
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide (CID 167439294) is 8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide is CC1(C)Cc2cnc(N)nc2-c2c1c(C(N)=O)nn2C1CCCCO1.
What is the InChIKey of 8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is GYVBYUFDJQTXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-17(2)7-9-8-20-16(19)21-12(9)14-11(17)13(15(18)24)22-23(14)10-5-3-4-6-25-10/h8,10H,3-7H2,1-2H3,(H2,18,24)(H2,19,20,21).
What are the key properties of 8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide?
8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 167439294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).