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

C23H28N8O3S — CID 146501422

IUPAC8-amino-N-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
SMILESCC1(C)Cc2cnc(N)nc2-c2n[nH]c(C(=O)Nc3nc(CC(=O)N4CCC(CO)CC4)cs3)c21
InChIInChI=1S/C23H28N8O3S/c1-23(2)8-13-9-25-21(24)27-17(13)18-16(23)19(30-29-18)20(34)28-22-26-14(11-35-22)7-15(33)31-5-3-12(10-32)4-6-31/h9,11-12,32H,3-8,10H2,1-2H3,(H,29,30)(H2,24,25,27)(H,26,28,34)
InChIKeyXBLLRLVABPDHFB-UHFFFAOYSA-N
MW496.60 g/mol
LogP1.76
Rot. Bonds5

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

8-amino-N-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide (PubChem CID 146501422) has the molecular formula C23H28N8O3S and a molecular weight of 496.60 g/mol. Its IUPAC name is 8-amino-N-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-amino-N-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
PubChem CID146501422
Molecular FormulaC23H28N8O3S
Molecular Weight496.60 g/mol
Exact Mass496.20
IUPAC Name8-amino-N-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
SMILESCC1(C)Cc2cnc(N)nc2-c2n[nH]c(C(=O)Nc3nc(CC(=O)N4CCC(CO)CC4)cs3)c21
InChIInChI=1S/C23H28N8O3S/c1-23(2)8-13-9-25-21(24)27-17(13)18-16(23)19(30-29-18)20(34)28-22-26-14(11-35-22)7-15(33)31-5-3-12(10-32)4-6-31/h9,11-12,32H,3-8,10H2,1-2H3,(H,29,30)(H2,24,25,27)(H,26,28,34)
InChIKeyXBLLRLVABPDHFB-UHFFFAOYSA-N
XLogP1.76
TPSA163.01 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Related Compounds

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
2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide
CID 159254217
N-[4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
CID 119374849
N-[4-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119487058
8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
CID 146501408
2-methyl-N-[4-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119543944
8-amino-N-[4-[[1-(4,4-dimethylcyclohexyl)piperidin-4-yl]oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
CID 146501446
1-[2-[2-(cyclopropanecarbonylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41228231
N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 120817223
N-[4-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 60560040
N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide
CID 41483133
N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228041

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide?
The IUPAC name of 8-amino-N-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide (CID 146501422) is 8-amino-N-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-amino-N-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-amino-N-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide is CC1(C)Cc2cnc(N)nc2-c2n[nH]c(C(=O)Nc3nc(CC(=O)N4CCC(CO)CC4)cs3)c21.
What is the InChIKey of 8-amino-N-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide?
The InChIKey is XBLLRLVABPDHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O3S/c1-23(2)8-13-9-25-21(24)27-17(13)18-16(23)19(30-29-18)20(34)28-22-26-14(11-35-22)7-15(33)31-5-3-12(10-32)4-6-31/h9,11-12,32H,3-8,10H2,1-2H3,(H,29,30)(H2,24,25,27)(H,26,28,34).
What are the key properties of 8-amino-N-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide?
8-amino-N-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide has a molecular weight of 496.60 g/mol, XLogP of 1.76, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide is sourced from PubChem (CID 146501422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).