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

C32H32N6OS — CID 56941342

IUPACN-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CCCN(Cc2csc3ccccc23)C1)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)nc3)c2C1
InChIInChI=1S/C32H32N6OS/c39-32(34-25-9-6-15-37(19-25)18-24-21-40-30-11-5-4-10-26(24)30)38-16-14-29-27(20-38)31(36-35-29)23-12-13-28(33-17-23)22-7-2-1-3-8-22/h1-5,7-8,10-13,17,21,25H,6,9,14-16,18-20H2,(H,34,39)(H,35,36)
InChIKeyFXANEVBOJDSELJ-UHFFFAOYSA-N
MW548.72 g/mol
LogP6.09
Rot. Bonds5

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

N-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 56941342) has the molecular formula C32H32N6OS and a molecular weight of 548.72 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID56941342
Molecular FormulaC32H32N6OS
Molecular Weight548.72 g/mol
Exact Mass548.24
IUPAC NameN-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CCCN(Cc2csc3ccccc23)C1)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)nc3)c2C1
InChIInChI=1S/C32H32N6OS/c39-32(34-25-9-6-15-37(19-25)18-24-21-40-30-11-5-4-10-26(24)30)38-16-14-29-27(20-38)31(36-35-29)23-12-13-28(33-17-23)22-7-2-1-3-8-22/h1-5,7-8,10-13,17,21,25H,6,9,14-16,18-20H2,(H,34,39)(H,35,36)
InChIKeyFXANEVBOJDSELJ-UHFFFAOYSA-N
XLogP6.09
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.72
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(6-phenyl-3-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

Related Compounds

1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(thiophen-3-ylmethyl)urea
CID 92044791
1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044657
1-(1-benzothiophen-3-ylmethyl)-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044807
US9624228, Example 291
CID 137101132
US9624228, Example 290
CID 137101293
N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 122362963
N-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 127053729
US9884048, Example 125
CID 121416661
US9624228, Example 252
CID 137101273
US9624228, Example 254
CID 137101274
US9624228, Example 251
CID 137101284
US9624228, Example 245
CID 137101344

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 56941342) is N-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(NC1CCCN(Cc2csc3ccccc23)C1)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)nc3)c2C1.
What is the InChIKey of N-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is FXANEVBOJDSELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6OS/c39-32(34-25-9-6-15-37(19-25)18-24-21-40-30-11-5-4-10-26(24)30)38-16-14-29-27(20-38)31(36-35-29)23-12-13-28(33-17-23)22-7-2-1-3-8-22/h1-5,7-8,10-13,17,21,25H,6,9,14-16,18-20H2,(H,34,39)(H,35,36).
What are the key properties of N-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 548.72 g/mol, XLogP of 6.09, 5 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)piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 56941342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).