3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide

C24H24N4O2 — CID 174193012

IUPAC3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide
SMILESCCOc1cc(C(=O)N(C)[C@H](C)c2cncc3cn[nH]c23)ccc1-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-4-30-22-12-18(10-11-20(22)17-8-6-5-7-9-17)24(29)28(3)16(2)21-15-25-13-19-14-26-27-23(19)21/h5-16H,4H2,1-3H3,(H,26,27)/t16-/m1/s1
InChIKeyKFHKNJLYFYVONM-MRXNPFEDSA-N
MW400.48 g/mol
LogP4.86
Rot. Bonds6

About 3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide

3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide (PubChem CID 174193012) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide
PubChem CID174193012
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide
SMILESCCOc1cc(C(=O)N(C)[C@H](C)c2cncc3cn[nH]c23)ccc1-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-4-30-22-12-18(10-11-20(22)17-8-6-5-7-9-17)24(29)28(3)16(2)21-15-25-13-19-14-26-27-23(19)21/h5-16H,4H2,1-3H3,(H,26,27)/t16-/m1/s1
InChIKeyKFHKNJLYFYVONM-MRXNPFEDSA-N
XLogP4.86
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(S)-(1-ethylazetidin-3-yl)-(1H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methyl-4-phenylbenzamide
CID 177286997
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-ethoxy-4-(3-fluorophenyl)-N-[(1S)-1-(1H-indazol-7-yl)ethyl]-N-methylbenzamide
CID 170020764
3-ethoxy-4-(3-fluorophenyl)-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methylbenzamide
CID 170020763
4-(3-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methylbenzamide
CID 177287071
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-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
[3-[[4-(3-chlorophenyl)-3-ethoxybenzoyl]-methylamino]-3-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-diethyl-hydroxyazanium
CID 177350331
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-ethoxy-4-(3-fluorophenyl)-N-[1-(4-isocyano-1H-indazol-7-yl)ethyl]-N-methylbenzamide
CID 170521505
(3R)-3-[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]-3-(1H-indazol-7-yl)-N,N-dimethylpropan-1-amine oxide
CID 177350230

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide?
The IUPAC name of 3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide (CID 174193012) is 3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide?
The canonical SMILES for 3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide is CCOc1cc(C(=O)N(C)[C@H](C)c2cncc3cn[nH]c23)ccc1-c1ccccc1.
What is the InChIKey of 3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide?
The InChIKey is KFHKNJLYFYVONM-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-4-30-22-12-18(10-11-20(22)17-8-6-5-7-9-17)24(29)28(3)16(2)21-15-25-13-19-14-26-27-23(19)21/h5-16H,4H2,1-3H3,(H,26,27)/t16-/m1/s1.
What are the key properties of 3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide?
3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide is sourced from PubChem (CID 174193012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).