3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C29H33N5O2S — CID 123884577

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CCCN(Cc2csc3c2C=CCC3)C1)N1CCc2[nH]nc(-c3ccc4c(c3)CCO4)c2C1
InChIInChI=1S/C29H33N5O2S/c35-29(30-22-4-3-11-33(16-22)15-21-18-37-27-6-2-1-5-23(21)27)34-12-9-25-24(17-34)28(32-31-25)20-7-8-26-19(14-20)10-13-36-26/h1,5,7-8,14,18,22H,2-4,6,9-13,15-17H2,(H,30,35)(H,31,32)
InChIKeyLHWXYFAKJKFCAJ-UHFFFAOYSA-N
MW515.68 g/mol
LogP4.76
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 123884577) has the molecular formula C29H33N5O2S and a molecular weight of 515.68 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID123884577
Molecular FormulaC29H33N5O2S
Molecular Weight515.68 g/mol
Exact Mass515.24
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CCCN(Cc2csc3c2C=CCC3)C1)N1CCc2[nH]nc(-c3ccc4c(c3)CCO4)c2C1
InChIInChI=1S/C29H33N5O2S/c35-29(30-22-4-3-11-33(16-22)15-21-18-37-27-6-2-1-5-23(21)27)34-12-9-25-24(17-34)28(32-31-25)20-7-8-26-19(14-20)10-13-36-26/h1,5,7-8,14,18,22H,2-4,6,9-13,15-17H2,(H,30,35)(H,31,32)
InChIKeyLHWXYFAKJKFCAJ-UHFFFAOYSA-N
XLogP4.76
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.68
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 66807189
N-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 66807180
N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56942061
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 147922635
3-(2-methyl-1,3-benzoxazol-5-yl)-N-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56941640
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56941343
N-[1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56941200
N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56941918
1-[(2,6-difluorophenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]amino]piperidine-3-carboxylic acid
CID 56941038
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]acetamide
CID 171130329
N-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 55645166
N-[[1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]methylidene]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 163787234

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 123884577) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(NC1CCCN(Cc2csc3c2C=CCC3)C1)N1CCc2[nH]nc(-c3ccc4c(c3)CCO4)c2C1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is LHWXYFAKJKFCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2S/c35-29(30-22-4-3-11-33(16-22)15-21-18-37-27-6-2-1-5-23(21)27)34-12-9-25-24(17-34)28(32-31-25)20-7-8-26-19(14-20)10-13-36-26/h1,5,7-8,14,18,22H,2-4,6,9-13,15-17H2,(H,30,35)(H,31,32).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 515.68 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 123884577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).