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

C23H28N6O3S — CID 166493131

IUPAC3-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
SMILESCO[C@H]1[C@@H](C)N(c2ccc3c(n2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N
InChIInChI=1S/C23H28N6O3S/c1-11-4-6-15-18(25)20(33-23(15)26-11)21(30)27-14-8-13-5-7-17(28-22(13)32-10-14)29-9-16(24)19(31-3)12(29)2/h4-7,12,14,16,19H,8-10,24-25H2,1-3H3,(H,27,30)/t12-,14-,16+,19+/m1/s1
InChIKeyKFCNOTWJRSEXTB-FYHWNKSOSA-N
MW468.58 g/mol
LogP1.87
Rot. Bonds4

About 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

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 (PubChem CID 166493131) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID166493131
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC Name3-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
SMILESCO[C@H]1[C@@H](C)N(c2ccc3c(n2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N
InChIInChI=1S/C23H28N6O3S/c1-11-4-6-15-18(25)20(33-23(15)26-11)21(30)27-14-8-13-5-7-17(28-22(13)32-10-14)29-9-16(24)19(31-3)12(29)2/h4-7,12,14,16,19H,8-10,24-25H2,1-3H3,(H,27,30)/t12-,14-,16+,19+/m1/s1
InChIKeyKFCNOTWJRSEXTB-FYHWNKSOSA-N
XLogP1.87
TPSA128.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CO[C@H]1[C@@H](C)N(c2ccc3c(n2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.
What is the InChIKey of 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?
The InChIKey is KFCNOTWJRSEXTB-FYHWNKSOSA-N. The full InChI is InChI=1S/C23H28N6O3S/c1-11-4-6-15-18(25)20(33-23(15)26-11)21(30)27-14-8-13-5-7-17(28-22(13)32-10-14)29-9-16(24)19(31-3)12(29)2/h4-7,12,14,16,19H,8-10,24-25H2,1-3H3,(H,27,30)/t12-,14-,16+,19+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 468.58 g/mol, XLogP of 1.87, 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-[(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 is sourced from PubChem (CID 166493131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).