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

C22H26N8O3S — CID 78323713

IUPACN-[3-(dimethylamino)-3-oxopropyl]-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)CCC(=O)N(C)C)nc12
InChIInChI=1S/C22H26N8O3S/c1-12(2)33-16-9-14-13(10-25-28-14)8-15(16)26-19-18-20(24-11-23-19)34-21(27-18)22(32)30(5)7-6-17(31)29(3)4/h8-12H,6-7H2,1-5H3,(H,25,28)(H,23,24,26)
InChIKeySLXIXSQVDODQRE-UHFFFAOYSA-N
MW482.57 g/mol
LogP3.04
Rot. Bonds8

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

N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 78323713) has the molecular formula C22H26N8O3S and a molecular weight of 482.57 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-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-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID78323713
Molecular FormulaC22H26N8O3S
Molecular Weight482.57 g/mol
Exact Mass482.18
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-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)CCC(=O)N(C)C)nc12
InChIInChI=1S/C22H26N8O3S/c1-12(2)33-16-9-14-13(10-25-28-14)8-15(16)26-19-18-20(24-11-23-19)34-21(27-18)22(32)30(5)7-6-17(31)29(3)4/h8-12H,6-7H2,1-5H3,(H,25,28)(H,23,24,26)
InChIKeySLXIXSQVDODQRE-UHFFFAOYSA-N
XLogP3.04
TPSA129.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-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-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 78323713) is N-[3-(dimethylamino)-3-oxopropyl]-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-[3-(dimethylamino)-3-oxopropyl]-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-[3-(dimethylamino)-3-oxopropyl]-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)CCC(=O)N(C)C)nc12.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is SLXIXSQVDODQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O3S/c1-12(2)33-16-9-14-13(10-25-28-14)8-15(16)26-19-18-20(24-11-23-19)34-21(27-18)22(32)30(5)7-6-17(31)29(3)4/h8-12H,6-7H2,1-5H3,(H,25,28)(H,23,24,26).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-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 482.57 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-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 78323713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).