4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide

C22H21N5OS — CID 52941333

IUPAC4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc4ncccc4c3)sc12
InChIInChI=1S/C22H21N5OS/c23-21(28)17-12-26-22(27-15-4-2-7-24-11-15)16-10-19(29-20(16)17)14-5-6-18-13(9-14)3-1-8-25-18/h1,3,5-6,8-10,12,15,24H,2,4,7,11H2,(H2,23,28)(H,26,27)/t15-/m0/s1
InChIKeyROXRWZCUYKTXHP-HNNXBMFYSA-N
MW403.51 g/mol
LogP3.77
Rot. Bonds4

About 4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide

4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52941333) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is 4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID52941333
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc4ncccc4c3)sc12
InChIInChI=1S/C22H21N5OS/c23-21(28)17-12-26-22(27-15-4-2-7-24-11-15)16-10-19(29-20(16)17)14-5-6-18-13(9-14)3-1-8-25-18/h1,3,5-6,8-10,12,15,24H,2,4,7,11H2,(H2,23,28)(H,26,27)/t15-/m0/s1
InChIKeyROXRWZCUYKTXHP-HNNXBMFYSA-N
XLogP3.77
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide with MolForge

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Related Compounds

2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
CID 11951723
Chk1-IN-2
CID 11951901
2-(4-Chlorophenyl)-4-[(3s)-Piperidin-3-Ylamino]thieno[3,2-C]pyridine-7-Carboxamide
CID 44133237
(3S)-3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492937
3-(5-ethylthiophen-2-yl)-2-(5-pyridin-3-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492945
3-(5-ethylthiophen-2-yl)-2-(5-pyridin-4-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492955
3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492968
N-[1-(4-acetylanilino)-6-methylisoquinolin-5-yl]-4-aminothieno[3,2-d]pyrimidine-7-carboxamide
CID 71622312
(S)-2-(4-carbamoylphenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 50925625
(S)-2-(4-(dimethylcarbamoyl)phenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 50925626
Quinoline-8-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
CID 10575339
(S)-2-phenyl-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 11842628

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide (CID 52941333) is 4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc4ncccc4c3)sc12.
What is the InChIKey of 4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is ROXRWZCUYKTXHP-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21N5OS/c23-21(28)17-12-26-22(27-15-4-2-7-24-11-15)16-10-19(29-20(16)17)14-5-6-18-13(9-14)3-1-8-25-18/h1,3,5-6,8-10,12,15,24H,2,4,7,11H2,(H2,23,28)(H,26,27)/t15-/m0/s1.
What are the key properties of 4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide?
4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-piperidin-3-yl]amino]-2-quinolin-6-ylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52941333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).