[1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid

C21H21N7O5S — CID 135240104

IUPAC[1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid
SMILESCc1cc(Nc2ncnc3sc(C(=O)N4CC(NC(=O)O)C4)cc23)c(=O)n2c1C(=O)NC2(C)C
InChIInChI=1S/C21H21N7O5S/c1-9-4-12(18(30)28-14(9)16(29)26-21(28,2)3)25-15-11-5-13(34-17(11)23-8-22-15)19(31)27-6-10(7-27)24-20(32)33/h4-5,8,10,24H,6-7H2,1-3H3,(H,26,29)(H,32,33)(H,22,23,25)
InChIKeyRNKSFYGIAJSRTF-UHFFFAOYSA-N
MW483.51 g/mol
LogP1.43
Rot. Bonds4

About [1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid

[1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid (PubChem CID 135240104) has the molecular formula C21H21N7O5S and a molecular weight of 483.51 g/mol. Its IUPAC name is [1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid
PubChem CID135240104
Molecular FormulaC21H21N7O5S
Molecular Weight483.51 g/mol
Exact Mass483.13
IUPAC Name[1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid
SMILESCc1cc(Nc2ncnc3sc(C(=O)N4CC(NC(=O)O)C4)cc23)c(=O)n2c1C(=O)NC2(C)C
InChIInChI=1S/C21H21N7O5S/c1-9-4-12(18(30)28-14(9)16(29)26-21(28,2)3)25-15-11-5-13(34-17(11)23-8-22-15)19(31)27-6-10(7-27)24-20(32)33/h4-5,8,10,24H,6-7H2,1-3H3,(H,26,29)(H,32,33)(H,22,23,25)
InChIKeyRNKSFYGIAJSRTF-UHFFFAOYSA-N
XLogP1.43
TPSA158.55 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.51
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze [1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid?
The IUPAC name of [1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid (CID 135240104) is [1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid?
The canonical SMILES for [1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid is Cc1cc(Nc2ncnc3sc(C(=O)N4CC(NC(=O)O)C4)cc23)c(=O)n2c1C(=O)NC2(C)C.
What is the InChIKey of [1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid?
The InChIKey is RNKSFYGIAJSRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O5S/c1-9-4-12(18(30)28-14(9)16(29)26-21(28,2)3)25-15-11-5-13(34-17(11)23-8-22-15)19(31)27-6-10(7-27)24-20(32)33/h4-5,8,10,24H,6-7H2,1-3H3,(H,26,29)(H,32,33)(H,22,23,25).
What are the key properties of [1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid?
[1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid has a molecular weight of 483.51 g/mol, XLogP of 1.43, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid is sourced from PubChem (CID 135240104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).