N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide

C24H24FN5O2 — CID 177286902

IUPACN-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)N(CCN)Cc2cncc3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C24H24FN5O2/c1-2-32-22-11-17(6-7-21(22)16-4-3-5-20(25)10-16)24(31)30(9-8-26)15-19-13-27-12-18-14-28-29-23(18)19/h3-7,10-14H,2,8-9,15,26H2,1H3,(H,28,29)
InChIKeySCSWZNSSISHYEV-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.76
Rot. Bonds8

About N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide

N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide (PubChem CID 177286902) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
PubChem CID177286902
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC NameN-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)N(CCN)Cc2cncc3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C24H24FN5O2/c1-2-32-22-11-17(6-7-21(22)16-4-3-5-20(25)10-16)24(31)30(9-8-26)15-19-13-27-12-18-14-28-29-23(18)19/h3-7,10-14H,2,8-9,15,26H2,1H3,(H,28,29)
InChIKeySCSWZNSSISHYEV-UHFFFAOYSA-N
XLogP3.76
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2R)-2-aminocyclobutyl]-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
CID 177287059
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide
CID 165385355
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-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide
CID 171106955
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
3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide
CID 177350304
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-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
CID 165385435
3-ethoxy-4-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide
CID 177286957
3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide
CID 165385029
4-(3-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methylbenzamide
CID 177287071

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide (CID 177286902) is N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide is CCOc1cc(C(=O)N(CCN)Cc2cncc3cn[nH]c23)ccc1-c1cccc(F)c1.
What is the InChIKey of N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
The InChIKey is SCSWZNSSISHYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-2-32-22-11-17(6-7-21(22)16-4-3-5-20(25)10-16)24(31)30(9-8-26)15-19-13-27-12-18-14-28-29-23(18)19/h3-7,10-14H,2,8-9,15,26H2,1H3,(H,28,29).
What are the key properties of N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide has a molecular weight of 433.49 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide is sourced from PubChem (CID 177286902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).