N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C26H29F2N3OS — CID 158755501

IUPACN-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NC[C@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1
InChIInChI=1S/C26H29F2N3OS/c1-14(11-29-25(32)24-16(3)19-7-4-15(2)30-26(19)33-24)20-9-22(28)23(10-21(20)27)31-12-17-5-6-18(8-17)13-31/h4,7,9-10,14,17-18H,5-6,8,11-13H2,1-3H3,(H,29,32)/t14-,17?,18?/m0/s1
InChIKeyHMFXWBBRGASQFD-NNGSBXSVSA-N
MW469.60 g/mol
LogP5.96
Rot. Bonds5

About N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 158755501) has the molecular formula C26H29F2N3OS and a molecular weight of 469.60 g/mol. Its IUPAC name is N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID158755501
Molecular FormulaC26H29F2N3OS
Molecular Weight469.60 g/mol
Exact Mass469.20
IUPAC NameN-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NC[C@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1
InChIInChI=1S/C26H29F2N3OS/c1-14(11-29-25(32)24-16(3)19-7-4-15(2)30-26(19)33-24)20-9-22(28)23(10-21(20)27)31-12-17-5-6-18(8-17)13-31/h4,7,9-10,14,17-18H,5-6,8,11-13H2,1-3H3,(H,29,32)/t14-,17?,18?/m0/s1
InChIKeyHMFXWBBRGASQFD-NNGSBXSVSA-N
XLogP5.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.60
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
3-amino-N-(2,6-difluorophenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1508263
3-amino-N,N-diethyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1541587
3-Amino-N,N-diethyl-6-PH-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1157648
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2793404
3-amino-6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 1004132
3-Amino-4,6-dimethyl-N-(4-(trifluoromethyl)benzyl)thieno[2,3-b]pyridine-2-carboxamide 2,2,2-trifluoroacetate
CID 16757564
3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004109
3-(4-Fluoro-phenyl)-thieno[2,3-b]pyridin-2-carboxylic acid (4-fluoro-benzyl)-amide
CID 69075091
(S)-3-Amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide 2,2,2-trifluoroacetate
CID 690842
3-amino-N-(4-methylbenzyl)-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 1005641

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 158755501) is N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(C)c(C(=O)NC[C@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.
What is the InChIKey of N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HMFXWBBRGASQFD-NNGSBXSVSA-N. The full InChI is InChI=1S/C26H29F2N3OS/c1-14(11-29-25(32)24-16(3)19-7-4-15(2)30-26(19)33-24)20-9-22(28)23(10-21(20)27)31-12-17-5-6-18(8-17)13-31/h4,7,9-10,14,17-18H,5-6,8,11-13H2,1-3H3,(H,29,32)/t14-,17?,18?/m0/s1.
What are the key properties of N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 469.60 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 158755501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).