4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide

C29H30N6O2 — CID 177350292

IUPAC4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide
SMILESCN(C)CC[C@H](c1cncc2cn[nH]c12)N(C)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2CC2)c1
InChIInChI=1S/C29H30N6O2/c1-34(2)12-11-26(25-18-31-16-22-17-32-33-28(22)25)35(3)29(36)21-7-10-24(27(14-21)37-23-8-9-23)20-6-4-5-19(13-20)15-30/h4-7,10,13-14,16-18,23,26H,8-9,11-12H2,1-3H3,(H,32,33)/t26-/m1/s1
InChIKeyWZRQJXMHDRUXSP-AREMUKBSSA-N
MW494.60 g/mol
LogP4.80
Rot. Bonds9

About 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide

4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide (PubChem CID 177350292) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide
PubChem CID177350292
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC Name4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide
SMILESCN(C)CC[C@H](c1cncc2cn[nH]c12)N(C)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2CC2)c1
InChIInChI=1S/C29H30N6O2/c1-34(2)12-11-26(25-18-31-16-22-17-32-33-28(22)25)35(3)29(36)21-7-10-24(27(14-21)37-23-8-9-23)20-6-4-5-19(13-20)15-30/h4-7,10,13-14,16-18,23,26H,8-9,11-12H2,1-3H3,(H,32,33)/t26-/m1/s1
InChIKeyWZRQJXMHDRUXSP-AREMUKBSSA-N
XLogP4.80
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methylbenzamide
CID 177287071
N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide
CID 177286933
[3-[[4-(3-chlorophenyl)-3-ethoxybenzoyl]-methylamino]-3-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-diethyl-hydroxyazanium
CID 177350331
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide
CID 165385355
3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide
CID 174193012
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(R)-(1-methylazetidin-3-yl)-(1H-pyrazolo[4,3-c]pyridin-7-yl)methyl]benzamide
CID 177287073
3-ethoxy-N-methyl-N-[(R)-[(3S)-1-methylpyrrolidin-3-yl]-(1H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-4-phenylbenzamide
CID 177350285
3-cyclopropyloxy-N-[(1S)-1-(4-ethyl-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-hydroxyethyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 177286934
3-ethoxy-N-[(S)-(1-ethylazetidin-3-yl)-(1H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methyl-4-phenylbenzamide
CID 177286997
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(1-methyl-1-oxidoazetidin-1-ium-3-yl)-(1H-pyrazolo[4,3-c]pyridin-7-yl)methyl]benzamide
CID 177350270
6-(3-cyanophenyl)-5-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-N-methylpyridine-3-carboxamide
CID 165385100
N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide
CID 165385281

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide?
The IUPAC name of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide (CID 177350292) is 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide.
What is the SMILES notation for 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide?
The canonical SMILES for 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide is CN(C)CC[C@H](c1cncc2cn[nH]c12)N(C)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2CC2)c1.
What is the InChIKey of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide?
The InChIKey is WZRQJXMHDRUXSP-AREMUKBSSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-34(2)12-11-26(25-18-31-16-22-17-32-33-28(22)25)35(3)29(36)21-7-10-24(27(14-21)37-23-8-9-23)20-6-4-5-19(13-20)15-30/h4-7,10,13-14,16-18,23,26H,8-9,11-12H2,1-3H3,(H,32,33)/t26-/m1/s1.
What are the key properties of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide?
4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide has a molecular weight of 494.60 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide is sourced from PubChem (CID 177350292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).