N-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C28H32N6OS — CID 56942655

IUPACN-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(-c2n[nH]c3c2CN(C(=O)NC2(C)CCCN(Cc4csc5ccccc45)C2)CC3)ccn1
InChIInChI=1S/C28H32N6OS/c1-19-14-20(8-11-29-19)26-23-16-34(13-9-24(23)31-32-26)27(35)30-28(2)10-5-12-33(18-28)15-21-17-36-25-7-4-3-6-22(21)25/h3-4,6-8,11,14,17H,5,9-10,12-13,15-16,18H2,1-2H3,(H,30,35)(H,31,32)
InChIKeyPSWFXVCEFQHNHQ-UHFFFAOYSA-N
MW500.67 g/mol
LogP5.12
Rot. Bonds4

About N-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 56942655) has the molecular formula C28H32N6OS and a molecular weight of 500.67 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID56942655
Molecular FormulaC28H32N6OS
Molecular Weight500.67 g/mol
Exact Mass500.24
IUPAC NameN-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(-c2n[nH]c3c2CN(C(=O)NC2(C)CCCN(Cc4csc5ccccc45)C2)CC3)ccn1
InChIInChI=1S/C28H32N6OS/c1-19-14-20(8-11-29-19)26-23-16-34(13-9-24(23)31-32-26)27(35)30-28(2)10-5-12-33(18-28)15-21-17-36-25-7-4-3-6-22(21)25/h3-4,6-8,11,14,17H,5,9-10,12-13,15-16,18H2,1-2H3,(H,30,35)(H,31,32)
InChIKeyPSWFXVCEFQHNHQ-UHFFFAOYSA-N
XLogP5.12
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.67
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 56942655) is N-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cc(-c2n[nH]c3c2CN(C(=O)NC2(C)CCCN(Cc4csc5ccccc45)C2)CC3)ccn1.
What is the InChIKey of N-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is PSWFXVCEFQHNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6OS/c1-19-14-20(8-11-29-19)26-23-16-34(13-9-24(23)31-32-26)27(35)30-28(2)10-5-12-33(18-28)15-21-17-36-25-7-4-3-6-22(21)25/h3-4,6-8,11,14,17H,5,9-10,12-13,15-16,18H2,1-2H3,(H,30,35)(H,31,32).
What are the key properties of N-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 500.67 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 56942655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).