5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide

C26H23N5O3 — CID 167570289

IUPAC5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide
SMILESCOc1ncc2c(c1CN(C)C(=O)c1ccc(-c3cccc(C#N)c3)c(OC3CC3)n1)CN=C2
InChIInChI=1S/C26H23N5O3/c1-31(15-22-21-14-28-12-18(21)13-29-24(22)33-2)26(32)23-9-8-20(25(30-23)34-19-6-7-19)17-5-3-4-16(10-17)11-27/h3-5,8-10,12-13,19H,6-7,14-15H2,1-2H3
InChIKeyFUVKWDVXWAQTKJ-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.77
Rot. Bonds7

About 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide

5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 167570289) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID167570289
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide
SMILESCOc1ncc2c(c1CN(C)C(=O)c1ccc(-c3cccc(C#N)c3)c(OC3CC3)n1)CN=C2
InChIInChI=1S/C26H23N5O3/c1-31(15-22-21-14-28-12-18(21)13-29-24(22)33-2)26(32)23-9-8-20(25(30-23)34-19-6-7-19)17-5-3-4-16(10-17)11-27/h3-5,8-10,12-13,19H,6-7,14-15H2,1-2H3
InChIKeyFUVKWDVXWAQTKJ-UHFFFAOYSA-N
XLogP3.77
TPSA100.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide
CID 167575131
5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide
CID 167569990
4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide
CID 170941268
5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide
CID 165385111
6-(3-cyanophenyl)-5-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-N-methylpyridine-3-carboxamide
CID 165385100
4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide
CID 177350292
3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
CID 118783123
3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[7-(hydroxymethyl)-3H-isoindol-4-yl]methyl]-N-methylbenzamide
CID 174089150
1-[2-[5-(3-cyanophenyl)-6-methoxy-3-pyridinyl]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 153016587
N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide
CID 165385281
6-chloro-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62233483
5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316278

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide (CID 167570289) is 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide is COc1ncc2c(c1CN(C)C(=O)c1ccc(-c3cccc(C#N)c3)c(OC3CC3)n1)CN=C2.
What is the InChIKey of 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is FUVKWDVXWAQTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-31(15-22-21-14-28-12-18(21)13-29-24(22)33-2)26(32)23-9-8-20(25(30-23)34-19-6-7-19)17-5-3-4-16(10-17)11-27/h3-5,8-10,12-13,19H,6-7,14-15H2,1-2H3.
What are the key properties of 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide?
5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 167570289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).