6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H31N5O3 — CID 87008688

IUPAC6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C3CC3)nc3c1c(C)nn3C)CC2
InChIInChI=1S/C25H31N5O3/c1-15-23-19(13-20(16-5-6-16)27-24(23)29(2)28-15)25(31)26-8-10-30-9-7-17-11-21(32-3)22(33-4)12-18(17)14-30/h11-13,16H,5-10,14H2,1-4H3,(H,26,31)
InChIKeyXWMDQLCNRCVQFJ-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.96
Rot. Bonds7

About 6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 87008688) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID87008688
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C3CC3)nc3c1c(C)nn3C)CC2
InChIInChI=1S/C25H31N5O3/c1-15-23-19(13-20(16-5-6-16)27-24(23)29(2)28-15)25(31)26-8-10-30-9-7-17-11-21(32-3)22(33-4)12-18(17)14-30/h11-13,16H,5-10,14H2,1-4H3,(H,26,31)
InChIKeyXWMDQLCNRCVQFJ-UHFFFAOYSA-N
XLogP2.96
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 38210528
6-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31700057
N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46514383
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
6-cyclopropyl-N-(3,3-dimethyl-2-oxobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95753508
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 46485233
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
6-cyclopropyl-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609834
N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30755491
6-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 154859385
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 87040944

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 87008688) is 6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C3CC3)nc3c1c(C)nn3C)CC2.
What is the InChIKey of 6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XWMDQLCNRCVQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-15-23-19(13-20(16-5-6-16)27-24(23)29(2)28-15)25(31)26-8-10-30-9-7-17-11-21(32-3)22(33-4)12-18(17)14-30/h11-13,16H,5-10,14H2,1-4H3,(H,26,31).
What are the key properties of 6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 87008688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).