8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide

C17H17N7O2S — CID 137415286

IUPAC8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
SMILESCC1(C)Cc2cnc(N)nc2-c2n[nH]c(C(=O)Nc3nc(CC=O)cs3)c21
InChIInChI=1S/C17H17N7O2S/c1-17(2)5-8-6-19-15(18)21-11(8)12-10(17)13(24-23-12)14(26)22-16-20-9(3-4-25)7-27-16/h4,6-7H,3,5H2,1-2H3,(H,23,24)(H2,18,19,21)(H,20,22,26)
InChIKeyGKSCBXUPERLZES-UHFFFAOYSA-N
MW383.44 g/mol
LogP1.73
Rot. Bonds4

About 8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide

8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide (PubChem CID 137415286) has the molecular formula C17H17N7O2S and a molecular weight of 383.44 g/mol. Its IUPAC name is 8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
PubChem CID137415286
Molecular FormulaC17H17N7O2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
SMILESCC1(C)Cc2cnc(N)nc2-c2n[nH]c(C(=O)Nc3nc(CC=O)cs3)c21
InChIInChI=1S/C17H17N7O2S/c1-17(2)5-8-6-19-15(18)21-11(8)12-10(17)13(24-23-12)14(26)22-16-20-9(3-4-25)7-27-16/h4,6-7H,3,5H2,1-2H3,(H,23,24)(H2,18,19,21)(H,20,22,26)
InChIKeyGKSCBXUPERLZES-UHFFFAOYSA-N
XLogP1.73
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide?
The IUPAC name of 8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide (CID 137415286) is 8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide is CC1(C)Cc2cnc(N)nc2-c2n[nH]c(C(=O)Nc3nc(CC=O)cs3)c21.
What is the InChIKey of 8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide?
The InChIKey is GKSCBXUPERLZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2S/c1-17(2)5-8-6-19-15(18)21-11(8)12-10(17)13(24-23-12)14(26)22-16-20-9(3-4-25)7-27-16/h4,6-7H,3,5H2,1-2H3,(H,23,24)(H2,18,19,21)(H,20,22,26).
What are the key properties of 8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide?
8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide is sourced from PubChem (CID 137415286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).