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

C17H18N6OS — CID 52943707

IUPAC4-[[(3S)-piperidin-3-yl]amino]-2-pyrimidin-2-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ncccn3)sc12
InChIInChI=1S/C17H18N6OS/c18-15(24)12-9-22-16(23-10-3-1-4-19-8-10)11-7-13(25-14(11)12)17-20-5-2-6-21-17/h2,5-7,9-10,19H,1,3-4,8H2,(H2,18,24)(H,22,23)/t10-/m0/s1
InChIKeyGFJSJSNXQIRIIS-JTQLQIEISA-N
MW354.44 g/mol
LogP2.02
Rot. Bonds4

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

4-[[(3S)-piperidin-3-yl]amino]-2-pyrimidin-2-ylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52943707) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 4-[[(3S)-piperidin-3-yl]amino]-2-pyrimidin-2-ylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[[(3S)-piperidin-3-yl]amino]-2-pyrimidin-2-ylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID52943707
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name4-[[(3S)-piperidin-3-yl]amino]-2-pyrimidin-2-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ncccn3)sc12
InChIInChI=1S/C17H18N6OS/c18-15(24)12-9-22-16(23-10-3-1-4-19-8-10)11-7-13(25-14(11)12)17-20-5-2-6-21-17/h2,5-7,9-10,19H,1,3-4,8H2,(H2,18,24)(H,22,23)/t10-/m0/s1
InChIKeyGFJSJSNXQIRIIS-JTQLQIEISA-N
XLogP2.02
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[(3S)-piperidin-3-yl]amino]-2-pyrimidin-2-ylthieno[3,2-c]pyridine-7-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

US11685744, Example 56
CID 164709790
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
Benzothienopyrimidinone deriv., 16b
CID 135927964
(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
3-(5-ethylthiophen-2-yl)-2-[5-(2-fluoro-3-pyridinyl)pyrimidin-2-yl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492971
Fovinaciclib
CID 132136461
2-[4-(7-Methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
CID 16618023

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-piperidin-3-yl]amino]-2-pyrimidin-2-ylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-[[(3S)-piperidin-3-yl]amino]-2-pyrimidin-2-ylthieno[3,2-c]pyridine-7-carboxamide (CID 52943707) is 4-[[(3S)-piperidin-3-yl]amino]-2-pyrimidin-2-ylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[[(3S)-piperidin-3-yl]amino]-2-pyrimidin-2-ylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[[(3S)-piperidin-3-yl]amino]-2-pyrimidin-2-ylthieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ncccn3)sc12.
What is the InChIKey of 4-[[(3S)-piperidin-3-yl]amino]-2-pyrimidin-2-ylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is GFJSJSNXQIRIIS-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18N6OS/c18-15(24)12-9-22-16(23-10-3-1-4-19-8-10)11-7-13(25-14(11)12)17-20-5-2-6-21-17/h2,5-7,9-10,19H,1,3-4,8H2,(H2,18,24)(H,22,23)/t10-/m0/s1.
What are the key properties of 4-[[(3S)-piperidin-3-yl]amino]-2-pyrimidin-2-ylthieno[3,2-c]pyridine-7-carboxamide?
4-[[(3S)-piperidin-3-yl]amino]-2-pyrimidin-2-ylthieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-piperidin-3-yl]amino]-2-pyrimidin-2-ylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52943707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).