N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide

C26H25F2N5O2S — CID 118644365

IUPACN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide
SMILESCOc1ccc(F)c(-c2csc3ccc(C(=O)Nc4cnccc4N4C[C@H](C)C[C@H](N)C4)nc23)c1F
InChIInChI=1S/C26H25F2N5O2S/c1-14-9-15(29)12-33(11-14)20-7-8-30-10-19(20)32-26(34)18-4-6-22-25(31-18)16(13-36-22)23-17(27)3-5-21(35-2)24(23)28/h3-8,10,13-15H,9,11-12,29H2,1-2H3,(H,32,34)/t14-,15+/m1/s1
InChIKeySJJZFWAELUPFBF-CABCVRRESA-N
MW509.58 g/mol
LogP5.07
Rot. Bonds5

About N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide (PubChem CID 118644365) has the molecular formula C26H25F2N5O2S and a molecular weight of 509.58 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide
PubChem CID118644365
Molecular FormulaC26H25F2N5O2S
Molecular Weight509.58 g/mol
Exact Mass509.17
IUPAC NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide
SMILESCOc1ccc(F)c(-c2csc3ccc(C(=O)Nc4cnccc4N4C[C@H](C)C[C@H](N)C4)nc23)c1F
InChIInChI=1S/C26H25F2N5O2S/c1-14-9-15(29)12-33(11-14)20-7-8-30-10-19(20)32-26(34)18-4-6-22-25(31-18)16(13-36-22)23-17(27)3-5-21(35-2)24(23)28/h3-8,10,13-15H,9,11-12,29H2,1-2H3,(H,32,34)/t14-,15+/m1/s1
InChIKeySJJZFWAELUPFBF-CABCVRRESA-N
XLogP5.07
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.58
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide
CID 118644415
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide
CID 118644388
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluoro-6-sulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 164928301
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-4-methoxyphenyl)-2,4-difluorobenzamide;dihydrochloride
CID 169262231
methyl 4-[3-[[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]carbamoyl]-2,6-difluorophenyl]-3,5-difluorobenzoate
CID 169262368
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
CID 118644423
3-(4-amino-2,6-difluorophenyl)-N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2,4-difluorobenzamide
CID 169262346
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-ethylthieno[3,2-b]pyridine-5-carboxamide
CID 118644369
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide
CID 118644412
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-pyrimidin-5-ylfuro[3,2-b]pyridine-5-carboxamide
CID 118644525
4-[3-[[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]carbamoyl]-2,6-difluorophenyl]-3,5-difluorobenzoic acid
CID 169262239
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-[4-(difluoromethyl)-2,6-difluorophenyl]-2,4-difluorobenzamide
CID 169262299

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide (CID 118644365) is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide is COc1ccc(F)c(-c2csc3ccc(C(=O)Nc4cnccc4N4C[C@H](C)C[C@H](N)C4)nc23)c1F.
What is the InChIKey of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide?
The InChIKey is SJJZFWAELUPFBF-CABCVRRESA-N. The full InChI is InChI=1S/C26H25F2N5O2S/c1-14-9-15(29)12-33(11-14)20-7-8-30-10-19(20)32-26(34)18-4-6-22-25(31-18)16(13-36-22)23-17(27)3-5-21(35-2)24(23)28/h3-8,10,13-15H,9,11-12,29H2,1-2H3,(H,32,34)/t14-,15+/m1/s1.
What are the key properties of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide?
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 509.58 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).