2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile

C19H17FN4S — CID 141157006

IUPAC2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile
SMILESN#Cc1cnc(N[C@H]2CCCNC2)c2sc(-c3cccc(F)c3)cc12
InChIInChI=1S/C19H17FN4S/c20-14-4-1-3-12(7-14)17-8-16-13(9-21)10-23-19(18(16)25-17)24-15-5-2-6-22-11-15/h1,3-4,7-8,10,15,22H,2,5-6,11H2,(H,23,24)/t15-/m0/s1
InChIKeyPQGTTZQYAYAFEG-HNNXBMFYSA-N
MW352.44 g/mol
LogP4.14
Rot. Bonds3

About 2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile

2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile (PubChem CID 141157006) has the molecular formula C19H17FN4S and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile
PubChem CID141157006
Molecular FormulaC19H17FN4S
Molecular Weight352.44 g/mol
Exact Mass352.12
IUPAC Name2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile
SMILESN#Cc1cnc(N[C@H]2CCCNC2)c2sc(-c3cccc(F)c3)cc12
InChIInChI=1S/C19H17FN4S/c20-14-4-1-3-12(7-14)17-8-16-13(9-21)10-23-19(18(16)25-17)24-15-5-2-6-22-11-15/h1,3-4,7-8,10,15,22H,2,5-6,11H2,(H,23,24)/t15-/m0/s1
InChIKeyPQGTTZQYAYAFEG-HNNXBMFYSA-N
XLogP4.14
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-b]pyridin-6-yl)-2-fluorobenzonitrile
CID 45482713
2-(3-fluorophenyl)-7-[(3S)-piperidin-3-ylamino]thieno[2,3-c]pyridine-4-carboxamide
CID 68502671
1-[3-[5-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]thiophen-2-yl]-2-pyridinyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 16749728
(2S)-1-N-[2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596438
4-((S)-2-Amino-3-phenyl-propylamino)-2-pyridin-4-yl-thieno[3,2-d]pyrimidine-7-carbonitrile
CID 89596518
3,5-Difluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine-2,6-diamine
CID 118903771
1-[(3-Methyl-1-benzothiophen-2-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 2813358
6-phenyl-2-N-propan-2-yl-4-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 137648699
2-Piperazin-1-yl-4-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine
CID 156012825
N-(4-fluorophenyl)-1-(pyridin-2-yl)-4-(thiophen-2-yl)-6,7-dihydro-5h-cyclopenta[c]pyridin-3-amine
CID 146048309
2-[(1-Methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridine-3-carbonitrile
CID 72120056
6-[(1-Methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridine-3-carbonitrile
CID 72120057

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile?
The IUPAC name of 2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile (CID 141157006) is 2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile?
The canonical SMILES for 2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile is N#Cc1cnc(N[C@H]2CCCNC2)c2sc(-c3cccc(F)c3)cc12.
What is the InChIKey of 2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile?
The InChIKey is PQGTTZQYAYAFEG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17FN4S/c20-14-4-1-3-12(7-14)17-8-16-13(9-21)10-23-19(18(16)25-17)24-15-5-2-6-22-11-15/h1,3-4,7-8,10,15,22H,2,5-6,11H2,(H,23,24)/t15-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile?
2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile has a molecular weight of 352.44 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-7-[[(3S)-piperidin-3-yl]amino]thieno[2,3-c]pyridine-4-carbonitrile is sourced from PubChem (CID 141157006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).