N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 160869473) has the molecular formula C108H117ClF2N16O7S5 and a molecular weight of 1985.01 g/mol. Its IUPAC name is N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name	N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID	160869473
Molecular Formula	C108H117ClF2N16O7S5
Molecular Weight	1985.01 g/mol
Exact Mass	1982.76
IUPAC Name	N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILES	C=C(O)Cc1cccc(CCNC(=O)c2sc3nc(C)ccc3c2N)c1.CC(=O)[C@H]1Cc2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2C1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCC4)cc3)sc2n1.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)c(Cl)c2)sc2nc(C(F)F)ccc12
InChI	InChI=1S/C22H23ClF2N4OS.C22H23N3O2S.2C22H25N3OS.C20H21N3O2S/c23-15-12-13(4-7-17(15)29-10-2-1-3-11-29)8-9-27-21(30)19-18(26)14-5-6-16(20(24)25)28-22(14)31-19;1-12-3-6-18-19(23)20(28-22(18)25-12)21(27)24-8-7-14-4-5-15-10-16(13(2)26)11-17(15)9-14;21-14-6-11-18-19(23)20(27-22(18)25-14)21(26)24-13-12-15-7-9-17(10-8-15)16-4-2-3-5-16;1-12-6-7-16-17(21)18(26-20(16)23-12)19(25)22-9-8-14-4-3-5-15(11-14)10-13(2)24/h4-7,12,20H,1-3,8-11,26H2,(H,27,30);3-6,9,16H,7-8,10-11,23H2,1-2H3,(H,24,27);26-11,16H,2-5,12-13,23H2,1H3,(H,24,26);3-7,11,24H,2,8-10,21H2,1H3,(H,22,25)/t;16-;;;/m.0.../s1
InChIKey	SLOLCPCFUWZHHP-GYJLBGKZSA-N
XLogP	22.30
TPSA	380.59 Å²
H-Bond Donors	11
H-Bond Acceptors	23
Rotatable Bonds	27
Heavy Atoms	139
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1985.01
LogP ≤ 5	22.30
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 160869473) is N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is C=C(O)Cc1cccc(CCNC(=O)c2sc3nc(C)ccc3c2N)c1.CC(=O)[C@H]1Cc2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2C1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCC4)cc3)sc2n1.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)c(Cl)c2)sc2nc(C(F)F)ccc12.

What is the InChIKey of N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is SLOLCPCFUWZHHP-GYJLBGKZSA-N. The full InChI is InChI=1S/C22H23ClF2N4OS.C22H23N3O2S.2C22H25N3OS.C20H21N3O2S/c23-15-12-13(4-7-17(15)29-10-2-1-3-11-29)8-9-27-21(30)19-18(26)14-5-6-16(20(24)25)28-22(14)31-19;1-12-3-6-18-19(23)20(28-22(18)25-12)21(27)24-8-7-14-4-5-15-10-16(13(2)26)11-17(15)9-14;2*1-14-6-11-18-19(23)20(27-22(18)25-14)21(26)24-13-12-15-7-9-17(10-8-15)16-4-2-3-5-16;1-12-6-7-16-17(21)18(26-20(16)23-12)19(25)22-9-8-14-4-3-5-15(11-14)10-13(2)24/h4-7,12,20H,1-3,8-11,26H2,(H,27,30);3-6,9,16H,7-8,10-11,23H2,1-2H3,(H,24,27);2*6-11,16H,2-5,12-13,23H2,1H3,(H,24,26);3-7,11,24H,2,8-10,21H2,1H3,(H,22,25)/t;16-;;;/m.0.../s1.

What are the key properties of N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

Where does this data come from?

All data for N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[2-(4-cyclopentylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-[3-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 160869473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).