6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide

C22H18ClFN4O3 — CID 51002335

IUPAC6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide
SMILESCCOc1n[nH]c2ncc(NC(=O)c3c(Cl)ccc(OCc4ccccc4)c3F)cc12
InChIInChI=1S/C22H18ClFN4O3/c1-2-30-22-15-10-14(11-25-20(15)27-28-22)26-21(29)18-16(23)8-9-17(19(18)24)31-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyVYGOUZKCGBJOLO-UHFFFAOYSA-N
MW440.86 g/mol
LogP4.98
Rot. Bonds7

About 6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide

6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide (PubChem CID 51002335) has the molecular formula C22H18ClFN4O3 and a molecular weight of 440.86 g/mol. Its IUPAC name is 6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide.

Molecular Properties

Compound Name6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide
PubChem CID51002335
Molecular FormulaC22H18ClFN4O3
Molecular Weight440.86 g/mol
Exact Mass440.11
IUPAC Name6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide
SMILESCCOc1n[nH]c2ncc(NC(=O)c3c(Cl)ccc(OCc4ccccc4)c3F)cc12
InChIInChI=1S/C22H18ClFN4O3/c1-2-30-22-15-10-14(11-25-20(15)27-28-22)26-21(29)18-16(23)8-9-17(19(18)24)31-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyVYGOUZKCGBJOLO-UHFFFAOYSA-N
XLogP4.98
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.86
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-phenylmethoxybenzamide
CID 51002333
6-chloro-2-fluoro-3-[(3-fluorophenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 51002454
6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide
CID 51002546
2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid
CID 24957188
2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid
CID 24957191
1-[3-[(4-chlorophenyl)methoxy]-2-fluoro-6-methylphenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone
CID 158776686
2-[(3-chloro-4-phenylmethoxyphenyl)carbamoyl]-3,4,5,6-tetrafluorobenzoic acid
CID 51036938
3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3889618
1-(2,6-dichloro-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 157347910
1-[6-chloro-2-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 158959452
N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
CID 2192184
N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide
CID 102461442

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide?
The IUPAC name of 6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide (CID 51002335) is 6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide.
What is the SMILES notation for 6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide?
The canonical SMILES for 6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide is CCOc1n[nH]c2ncc(NC(=O)c3c(Cl)ccc(OCc4ccccc4)c3F)cc12.
What is the InChIKey of 6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide?
The InChIKey is VYGOUZKCGBJOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O3/c1-2-30-22-15-10-14(11-25-20(15)27-28-22)26-21(29)18-16(23)8-9-17(19(18)24)31-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,26,29)(H,25,27,28).
What are the key properties of 6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide?
6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide has a molecular weight of 440.86 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide is sourced from PubChem (CID 51002335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).