5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C29H29N5O3 — CID 26224167

IUPAC5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1CN(Cc1cccc3c1OCO3)CC2
InChIInChI=1S/C29H29N5O3/c35-29(31-17-23-10-4-5-14-30-23)27-24-19-33(18-22-9-6-11-26-28(22)37-20-36-26)15-13-25(24)34(32-27)16-12-21-7-2-1-3-8-21/h1-11,14H,12-13,15-20H2,(H,31,35)
InChIKeyOQHQMSCYPNDJPX-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.74
Rot. Bonds8

About 5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26224167) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26224167
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC Name5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1CN(Cc1cccc3c1OCO3)CC2
InChIInChI=1S/C29H29N5O3/c35-29(31-17-23-10-4-5-14-30-23)27-24-19-33(18-22-9-6-11-26-28(22)37-20-36-26)15-13-25(24)34(32-27)16-12-21-7-2-1-3-8-21/h1-11,14H,12-13,15-20H2,(H,31,35)
InChIKeyOQHQMSCYPNDJPX-UHFFFAOYSA-N
XLogP3.74
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26224167) is 5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1CN(Cc1cccc3c1OCO3)CC2.
What is the InChIKey of 5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is OQHQMSCYPNDJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c35-29(31-17-23-10-4-5-14-30-23)27-24-19-33(18-22-9-6-11-26-28(22)37-20-36-26)15-13-25(24)34(32-27)16-12-21-7-2-1-3-8-21/h1-11,14H,12-13,15-20H2,(H,31,35).
What are the key properties of 5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-4-ylmethyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26224167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).