3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C24H28N6O4S — CID 172540171

IUPAC3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NC3COc4nc(N5CC(N)C6(C5)OCCO6)ccc4C3)sc2n1
InChIInChI=1S/C24H28N6O4S/c1-12-7-13(2)27-23-18(12)19(26)20(35-23)21(31)28-15-8-14-3-4-17(29-22(14)32-10-15)30-9-16(25)24(11-30)33-5-6-34-24/h3-4,7,15-16H,5-6,8-11,25-26H2,1-2H3,(H,28,31)
InChIKeySTJZFYPCMJKJFN-UHFFFAOYSA-N
MW496.59 g/mol
LogP1.51
Rot. Bonds3

About 3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 172540171) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is 3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID172540171
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC Name3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NC3COc4nc(N5CC(N)C6(C5)OCCO6)ccc4C3)sc2n1
InChIInChI=1S/C24H28N6O4S/c1-12-7-13(2)27-23-18(12)19(26)20(35-23)21(31)28-15-8-14-3-4-17(29-22(14)32-10-15)30-9-16(25)24(11-30)33-5-6-34-24/h3-4,7,15-16H,5-6,8-11,25-26H2,1-2H3,(H,28,31)
InChIKeySTJZFYPCMJKJFN-UHFFFAOYSA-N
XLogP1.51
TPSA137.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Launch Full Analysis

Related Compounds

3-amino-N-[(3R)-7-[(3S,4S)-4-amino-3-methoxy-3-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137489566
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
3-amino-N-[(6S)-2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137489555
6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 146349561
3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 166492981
3-amino-N-[(3R)-7-[(2R,3R,4S)-4-amino-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166493131
3-amino-N-[2-[3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 172540042
7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172540162
3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 172539809
3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 172540394
3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 151307460
3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 865531

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 172540171) is 3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)NC3COc4nc(N5CC(N)C6(C5)OCCO6)ccc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is STJZFYPCMJKJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-12-7-13(2)27-23-18(12)19(26)20(35-23)21(31)28-15-8-14-3-4-17(29-22(14)32-10-15)30-9-16(25)24(11-30)33-5-6-34-24/h3-4,7,15-16H,5-6,8-11,25-26H2,1-2H3,(H,28,31).
What are the key properties of 3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[7-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 172540171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).