2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid

C22H17ClF2N4O3 — CID 142771167

IUPAC2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid
SMILESCC(F)(F)COc1ncc(Cn2nc3ccnc(C(=O)O)c3c2-c2ccccc2)cc1Cl
InChIInChI=1S/C22H17ClF2N4O3/c1-22(24,25)12-32-20-15(23)9-13(10-27-20)11-29-19(14-5-3-2-4-6-14)17-16(28-29)7-8-26-18(17)21(30)31/h2-10H,11-12H2,1H3,(H,30,31)
InChIKeyKOIQHQVPKIWWFU-UHFFFAOYSA-N
MW458.85 g/mol
LogP4.93
Rot. Bonds7

About 2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid

2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid (PubChem CID 142771167) has the molecular formula C22H17ClF2N4O3 and a molecular weight of 458.85 g/mol. Its IUPAC name is 2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid
PubChem CID142771167
Molecular FormulaC22H17ClF2N4O3
Molecular Weight458.85 g/mol
Exact Mass458.10
IUPAC Name2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid
SMILESCC(F)(F)COc1ncc(Cn2nc3ccnc(C(=O)O)c3c2-c2ccccc2)cc1Cl
InChIInChI=1S/C22H17ClF2N4O3/c1-22(24,25)12-32-20-15(23)9-13(10-27-20)11-29-19(14-5-3-2-4-6-14)17-16(28-29)7-8-26-18(17)21(30)31/h2-10H,11-12H2,1H3,(H,30,31)
InChIKeyKOIQHQVPKIWWFU-UHFFFAOYSA-N
XLogP4.93
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.85
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid with MolForge

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Related Compounds

6-[[6-Chloro-2-(furan-3-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123494981
6-[[6-Chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123512315
6-[[6-Chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123163794
6-[[6-Chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123896585
6-[[6-Chloro-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 68184170
4-(6-Chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid
CID 175944896
4-(6-Chloro-4-ethoxy-3-pyridin-3-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid
CID 177656011
6-[[2-(3-Fluorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 60151280
6-[[2-(4-Fluorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 60151416
1-[5-Chloro-6-(2-methylpropoxy)-3-pyridinyl]-6-fluoro-3-methylindazole-5-carboxylic acid
CID 68109684
1-[5-Chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-6-fluoro-3-methylindazole-5-carboxylic acid
CID 68109963
4-(3-Ethoxyphenyl)-1-[2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 71230367

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid (CID 142771167) is 2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid is CC(F)(F)COc1ncc(Cn2nc3ccnc(C(=O)O)c3c2-c2ccccc2)cc1Cl.
What is the InChIKey of 2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid?
The InChIKey is KOIQHQVPKIWWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N4O3/c1-22(24,25)12-32-20-15(23)9-13(10-27-20)11-29-19(14-5-3-2-4-6-14)17-16(28-29)7-8-26-18(17)21(30)31/h2-10H,11-12H2,1H3,(H,30,31).
What are the key properties of 2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid?
2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid has a molecular weight of 458.85 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 142771167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).