4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane

C18H23N5O2 — CID 158708071

IUPAC4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane
SMILESC.COc1cc2c(N3CCc4c(C)nn(C)c4C3)ncnc2cc1O
InChIInChI=1S/C17H19N5O2.CH4/c1-10-11-4-5-22(8-14(11)21(2)20-10)17-12-6-16(24-3)15(23)7-13(12)18-9-19-17;/h6-7,9,23H,4-5,8H2,1-3H3;1H4
InChIKeyIIJICVZTBBPVIE-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.58
Rot. Bonds2

About 4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane

4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane (PubChem CID 158708071) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane.

Molecular Properties

Compound Name4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane
PubChem CID158708071
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane
SMILESC.COc1cc2c(N3CCc4c(C)nn(C)c4C3)ncnc2cc1O
InChIInChI=1S/C17H19N5O2.CH4/c1-10-11-4-5-22(8-14(11)21(2)20-10)17-12-6-16(24-3)15(23)7-13(12)18-9-19-17;/h6-7,9,23H,4-5,8H2,1-3H3;1H4
InChIKeyIIJICVZTBBPVIE-UHFFFAOYSA-N
XLogP2.58
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane with MolForge

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Related Compounds

4-(1,3-dihydroisoindol-2-yl)-6-methoxyquinazolin-7-ol
CID 143413846
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
4-amino-6-methoxyquinazolin-7-ol
CID 135697903
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
acetic acid;2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 143413817
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
CID 22954242
2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane
CID 143095921
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline
CID 11537337
2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol
CID 137222694

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane?
The IUPAC name of 4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane (CID 158708071) is 4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane.
What is the SMILES notation for 4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane?
The canonical SMILES for 4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane is C.COc1cc2c(N3CCc4c(C)nn(C)c4C3)ncnc2cc1O.
What is the InChIKey of 4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane?
The InChIKey is IIJICVZTBBPVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2.CH4/c1-10-11-4-5-22(8-14(11)21(2)20-10)17-12-6-16(24-3)15(23)7-13(12)18-9-19-17;/h6-7,9,23H,4-5,8H2,1-3H3;1H4.
What are the key properties of 4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane?
4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane has a molecular weight of 341.42 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane is sourced from PubChem (CID 158708071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).