6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide

C23H28N6O4S2 — CID 172540405

IUPAC6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2sc(C(=O)NC3COc4nc(N5CC(N)C6(C5)OCC(C)(C)O6)ccc4C3)c(N)c2s1
InChIInChI=1S/C23H28N6O4S2/c1-11-26-21-18(34-11)16(25)17(35-21)19(30)27-13-6-12-4-5-15(28-20(12)31-8-13)29-7-14(24)23(9-29)32-10-22(2,3)33-23/h4-5,13-14H,6-10,24-25H2,1-3H3,(H,27,30)
InChIKeyQVHFVVNFYDWJRJ-UHFFFAOYSA-N
MW516.65 g/mol
LogP2.05
Rot. Bonds3

About 6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide

6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 172540405) has the molecular formula C23H28N6O4S2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID172540405
Molecular FormulaC23H28N6O4S2
Molecular Weight516.65 g/mol
Exact Mass516.16
IUPAC Name6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2sc(C(=O)NC3COc4nc(N5CC(N)C6(C5)OCC(C)(C)O6)ccc4C3)c(N)c2s1
InChIInChI=1S/C23H28N6O4S2/c1-11-26-21-18(34-11)16(25)17(35-21)19(30)27-13-6-12-4-5-15(28-20(12)31-8-13)29-7-14(24)23(9-29)32-10-22(2,3)33-23/h4-5,13-14H,6-10,24-25H2,1-3H3,(H,27,30)
InChIKeyQVHFVVNFYDWJRJ-UHFFFAOYSA-N
XLogP2.05
TPSA137.85 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 172540405) is 6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is Cc1nc2sc(C(=O)NC3COc4nc(N5CC(N)C6(C5)OCC(C)(C)O6)ccc4C3)c(N)c2s1.
What is the InChIKey of 6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is QVHFVVNFYDWJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4S2/c1-11-26-21-18(34-11)16(25)17(35-21)19(30)27-13-6-12-4-5-15(28-20(12)31-8-13)29-7-14(24)23(9-29)32-10-22(2,3)33-23/h4-5,13-14H,6-10,24-25H2,1-3H3,(H,27,30).
What are the key properties of 6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 516.65 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 172540405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).