3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C22H25FN6O3S — CID 167225690

IUPAC3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCO[C@H]1CN(c2nc3c(cc2F)C[C@@H](NC(=O)c2sc4nc(C)ccc4c2N)CO3)C[C@@H]1N
InChIInChI=1S/C22H25FN6O3S/c1-10-3-4-13-17(25)18(33-22(13)26-10)20(30)27-12-5-11-6-14(23)19(28-21(11)32-9-12)29-7-15(24)16(8-29)31-2/h3-4,6,12,15-16H,5,7-9,24-25H2,1-2H3,(H,27,30)/t12-,15+,16+/m1/s1
InChIKeyFJNMQNMNYPAXNV-KCXAZCMYSA-N
MW472.55 g/mol
LogP1.62
Rot. Bonds4

About 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167225690) has the molecular formula C22H25FN6O3S and a molecular weight of 472.55 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID167225690
Molecular FormulaC22H25FN6O3S
Molecular Weight472.55 g/mol
Exact Mass472.17
IUPAC Name3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCO[C@H]1CN(c2nc3c(cc2F)C[C@@H](NC(=O)c2sc4nc(C)ccc4c2N)CO3)C[C@@H]1N
InChIInChI=1S/C22H25FN6O3S/c1-10-3-4-13-17(25)18(33-22(13)26-10)20(30)27-12-5-11-6-14(23)19(28-21(11)32-9-12)29-7-15(24)16(8-29)31-2/h3-4,6,12,15-16H,5,7-9,24-25H2,1-2H3,(H,27,30)/t12-,15+,16+/m1/s1
InChIKeyFJNMQNMNYPAXNV-KCXAZCMYSA-N
XLogP1.62
TPSA128.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-amino-N-(4-methoxyphenyl)-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 1294912
1-amino-8,8-dimethyl-5-morpholino-N-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 3722012
7-(3-methyl-5-phenoxy-2-pyridinyl)-6-oxo-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide
CID 129220135
1-amino-N-(furan-2-ylmethyl)-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 661594
N-(furan-2-ylmethyl)-2-(5,5,13-trimethyl-15-oxo-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-14-yl)acetamide
CID 663733
5-(1-Amino-8,8-dimethyl-5-morpholin-4-yl-8,9-dihydro-6H-7-oxa-3-thia-4-aza-cyclopenta[a]naphthalen-2-yl)-furan-2-carboxylic acid methylamide
CID 1096252
1-amino-N-(3-methoxyphenyl)-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 1417641
1-amino-N-(4-methoxyphenyl)-8,8-dimethyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 4974553
2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 663383
1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 4594243
1-amino-N-(2-methoxyphenyl)-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 1296820
4-(2-(Tetrahydro-2H-pyran-4-yloxy)-6-(trifluoromethyl)pyridin-3-ylamino)-N-(3-(dimethylamino)propyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46182175

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167225690) is 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is CO[C@H]1CN(c2nc3c(cc2F)C[C@@H](NC(=O)c2sc4nc(C)ccc4c2N)CO3)C[C@@H]1N.
What is the InChIKey of 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FJNMQNMNYPAXNV-KCXAZCMYSA-N. The full InChI is InChI=1S/C22H25FN6O3S/c1-10-3-4-13-17(25)18(33-22(13)26-10)20(30)27-12-5-11-6-14(23)19(28-21(11)32-9-12)29-7-15(24)16(8-29)31-2/h3-4,6,12,15-16H,5,7-9,24-25H2,1-2H3,(H,27,30)/t12-,15+,16+/m1/s1.
What are the key properties of 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167225690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).