8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide

C19H19N5O2 — CID 22587290

IUPAC8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cnc3c(C(=O)NCc4ccccn4)cnn3c2C1
InChIInChI=1S/C19H19N5O2/c1-19(2)7-15-13(16(25)8-19)10-21-17-14(11-23-24(15)17)18(26)22-9-12-5-3-4-6-20-12/h3-6,10-11H,7-9H2,1-2H3,(H,22,26)
InChIKeyVSXHCKJZRFUWFP-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.21
Rot. Bonds3

About 8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide

8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 22587290) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID22587290
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cnc3c(C(=O)NCc4ccccn4)cnn3c2C1
InChIInChI=1S/C19H19N5O2/c1-19(2)7-15-13(16(25)8-19)10-21-17-14(11-23-24(15)17)18(26)22-9-12-5-3-4-6-20-12/h3-6,10-11H,7-9H2,1-2H3,(H,22,26)
InChIKeyVSXHCKJZRFUWFP-UHFFFAOYSA-N
XLogP2.21
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716741
N-(pyridin-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1247942
1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 84557714
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43132619
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420
5-amino-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 54914226
2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 168517912
1-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134797408
7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46167866

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of 8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 22587290) is 8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for 8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for 8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide is CC1(C)CC(=O)c2cnc3c(C(=O)NCc4ccccn4)cnn3c2C1.
What is the InChIKey of 8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is VSXHCKJZRFUWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-19(2)7-15-13(16(25)8-19)10-21-17-14(11-23-24(15)17)18(26)22-9-12-5-3-4-6-20-12/h3-6,10-11H,7-9H2,1-2H3,(H,22,26).
What are the key properties of 8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 22587290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).