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

C23H29N7O3S — CID 137415295

IUPAC8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide
SMILESCc1csc(NC(=O)c2c3c(nn2CCOC2CCCCO2)-c2nc(N)ncc2CC3(C)C)n1
InChIInChI=1S/C23H29N7O3S/c1-13-12-34-22(26-13)28-20(31)19-16-18(17-14(10-23(16,2)3)11-25-21(24)27-17)29-30(19)7-9-33-15-6-4-5-8-32-15/h11-12,15H,4-10H2,1-3H3,(H2,24,25,27)(H,26,28,31)
InChIKeyAULACVWXIFQUAB-UHFFFAOYSA-N
MW483.60 g/mol
LogP3.32
Rot. Bonds6

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

8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide (PubChem CID 137415295) has the molecular formula C23H29N7O3S and a molecular weight of 483.60 g/mol. Its IUPAC name is 8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide
PubChem CID137415295
Molecular FormulaC23H29N7O3S
Molecular Weight483.60 g/mol
Exact Mass483.21
IUPAC Name8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide
SMILESCc1csc(NC(=O)c2c3c(nn2CCOC2CCCCO2)-c2nc(N)ncc2CC3(C)C)n1
InChIInChI=1S/C23H29N7O3S/c1-13-12-34-22(26-13)28-20(31)19-16-18(17-14(10-23(16,2)3)11-25-21(24)27-17)29-30(19)7-9-33-15-6-4-5-8-32-15/h11-12,15H,4-10H2,1-3H3,(H2,24,25,27)(H,26,28,31)
InChIKeyAULACVWXIFQUAB-UHFFFAOYSA-N
XLogP3.32
TPSA130.07 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide with MolForge

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Related Compounds

8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
CID 167439294
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
5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide
CID 97246004
N-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-2-yl)acetamide
CID 110678002
ethyl 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylate
CID 59984579
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
CID 94824310
4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 66123358
1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 59984584
2-(2-amino-5-iodopyrimidin-4-yl)-1-[2-(oxan-2-yloxy)ethyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylic acid
CID 140694689
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
1-(1,5-dimethylimidazol-4-yl)-4-(oxan-2-yloxy)butan-1-one
CID 59725815

Frequently Asked Questions

What is the IUPAC name of 8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide?
The IUPAC name of 8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide (CID 137415295) is 8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide is Cc1csc(NC(=O)c2c3c(nn2CCOC2CCCCO2)-c2nc(N)ncc2CC3(C)C)n1.
What is the InChIKey of 8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide?
The InChIKey is AULACVWXIFQUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3S/c1-13-12-34-22(26-13)28-20(31)19-16-18(17-14(10-23(16,2)3)11-25-21(24)27-17)29-30(19)7-9-33-15-6-4-5-8-32-15/h11-12,15H,4-10H2,1-3H3,(H2,24,25,27)(H,26,28,31).
What are the key properties of 8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide?
8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide has a molecular weight of 483.60 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide is sourced from PubChem (CID 137415295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).