3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone

C29H29N5O2 — CID 26133015

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
SMILESO=C(c1nn(Cc2ccccn2)c2c1CN(C/C=C/c1ccco1)CC2)N1CCc2ccccc2C1
InChIInChI=1S/C29H29N5O2/c35-29(33-17-12-22-7-1-2-8-23(22)19-33)28-26-21-32(15-5-10-25-11-6-18-36-25)16-13-27(26)34(31-28)20-24-9-3-4-14-30-24/h1-11,14,18H,12-13,15-17,19-21H2/b10-5+
InChIKeyXCVCZDPCYUGSFM-BJMVGYQFSA-N
MW479.58 g/mol
LogP4.19
Rot. Bonds6

About 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone (PubChem CID 26133015) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
PubChem CID26133015
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
SMILESO=C(c1nn(Cc2ccccn2)c2c1CN(C/C=C/c1ccco1)CC2)N1CCc2ccccc2C1
InChIInChI=1S/C29H29N5O2/c35-29(33-17-12-22-7-1-2-8-23(22)19-33)28-26-21-32(15-5-10-25-11-6-18-36-25)16-13-27(26)34(31-28)20-24-9-3-4-14-30-24/h1-11,14,18H,12-13,15-17,19-21H2/b10-5+
InChIKeyXCVCZDPCYUGSFM-BJMVGYQFSA-N
XLogP4.19
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone 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 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone (CID 26133015) is 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone is O=C(c1nn(Cc2ccccn2)c2c1CN(C/C=C/c1ccco1)CC2)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
The InChIKey is XCVCZDPCYUGSFM-BJMVGYQFSA-N. The full InChI is InChI=1S/C29H29N5O2/c35-29(33-17-12-22-7-1-2-8-23(22)19-33)28-26-21-32(15-5-10-25-11-6-18-36-25)16-13-27(26)34(31-28)20-24-9-3-4-14-30-24/h1-11,14,18H,12-13,15-17,19-21H2/b10-5+.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone has a molecular weight of 479.58 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone is sourced from PubChem (CID 26133015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).