2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

C23H24N6OS — CID 11951727

IUPAC2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cnn(Cc4ccccc4)c3)sc12
InChIInChI=1S/C23H24N6OS/c24-22(30)19-12-26-23(28-17-7-4-8-25-11-17)18-9-20(31-21(18)19)16-10-27-29(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,9-10,12,14,17,25H,4,7-8,11,13H2,(H2,24,30)(H,26,28)/t17-/m0/s1
InChIKeyGELAGPPHKOHLGO-KRWDZBQOSA-N
MW432.55 g/mol
LogP3.47
Rot. Bonds6

About 2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 11951727) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID11951727
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cnn(Cc4ccccc4)c3)sc12
InChIInChI=1S/C23H24N6OS/c24-22(30)19-12-26-23(28-17-7-4-8-25-11-17)18-9-20(31-21(18)19)16-10-27-29(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,9-10,12,14,17,25H,4,7-8,11,13H2,(H2,24,30)(H,26,28)/t17-/m0/s1
InChIKeyGELAGPPHKOHLGO-KRWDZBQOSA-N
XLogP3.47
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 11951727) is 2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cnn(Cc4ccccc4)c3)sc12.
What is the InChIKey of 2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is GELAGPPHKOHLGO-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N6OS/c24-22(30)19-12-26-23(28-17-7-4-8-25-11-17)18-9-20(31-21(18)19)16-10-27-29(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,9-10,12,14,17,25H,4,7-8,11,13H2,(H2,24,30)(H,26,28)/t17-/m0/s1.
What are the key properties of 2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 11951727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).