N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide

C25H24FN5O2S — CID 118644424

IUPACN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2ccc3sc(-c4ccccc4F)cc3n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C25H24FN5O2S/c1-14-12-31(13-17(27)24(14)32)21-8-9-28-11-20(21)30-25(33)18-6-7-22-19(29-18)10-23(34-22)15-4-2-3-5-16(15)26/h2-11,14,17,24,32H,12-13,27H2,1H3,(H,30,33)/t14-,17+,24+/m0/s1
InChIKeyZOPSRQGYGDELHN-XDVIXQCFSA-N
MW477.57 g/mol
LogP3.89
Rot. Bonds4

About N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide (PubChem CID 118644424) has the molecular formula C25H24FN5O2S and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide
PubChem CID118644424
Molecular FormulaC25H24FN5O2S
Molecular Weight477.57 g/mol
Exact Mass477.16
IUPAC NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2ccc3sc(-c4ccccc4F)cc3n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C25H24FN5O2S/c1-14-12-31(13-17(27)24(14)32)21-8-9-28-11-20(21)30-25(33)18-6-7-22-19(29-18)10-23(34-22)15-4-2-3-5-16(15)26/h2-11,14,17,24,32H,12-13,27H2,1H3,(H,30,33)/t14-,17+,24+/m0/s1
InChIKeyZOPSRQGYGDELHN-XDVIXQCFSA-N
XLogP3.89
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide (CID 118644424) is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide is C[C@H]1CN(c2ccncc2NC(=O)c2ccc3sc(-c4ccccc4F)cc3n2)C[C@@H](N)[C@@H]1O.
What is the InChIKey of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide?
The InChIKey is ZOPSRQGYGDELHN-XDVIXQCFSA-N. The full InChI is InChI=1S/C25H24FN5O2S/c1-14-12-31(13-17(27)24(14)32)21-8-9-28-11-20(21)30-25(33)18-6-7-22-19(29-18)10-23(34-22)15-4-2-3-5-16(15)26/h2-11,14,17,24,32H,12-13,27H2,1H3,(H,30,33)/t14-,17+,24+/m0/s1.
What are the key properties of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide?
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).