N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C21H24N8O3S — CID 78323386

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)CC(=O)N(C)C)nc12
InChIInChI=1S/C21H24N8O3S/c1-11(2)32-15-7-13-12(8-24-27-13)6-14(15)25-18-17-19(23-10-22-18)33-20(26-17)21(31)29(5)9-16(30)28(3)4/h6-8,10-11H,9H2,1-5H3,(H,24,27)(H,22,23,25)
InChIKeyRHFZKVJUBNIYGR-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.65
Rot. Bonds7

About N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 78323386) has the molecular formula C21H24N8O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID78323386
Molecular FormulaC21H24N8O3S
Molecular Weight468.54 g/mol
Exact Mass468.17
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)CC(=O)N(C)C)nc12
InChIInChI=1S/C21H24N8O3S/c1-11(2)32-15-7-13-12(8-24-27-13)6-14(15)25-18-17-19(23-10-22-18)33-20(26-17)21(31)29(5)9-16(30)28(3)4/h6-8,10-11H,9H2,1-5H3,(H,24,27)(H,22,23,25)
InChIKeyRHFZKVJUBNIYGR-UHFFFAOYSA-N
XLogP2.65
TPSA129.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 78323386) is N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)CC(=O)N(C)C)nc12.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is RHFZKVJUBNIYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O3S/c1-11(2)32-15-7-13-12(8-24-27-13)6-14(15)25-18-17-19(23-10-22-18)33-20(26-17)21(31)29(5)9-16(30)28(3)4/h6-8,10-11H,9H2,1-5H3,(H,24,27)(H,22,23,25).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 78323386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).