[4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C20H17ClFN3O2 — CID 167848357

IUPAC[4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)Cc2cn[nH]c21
InChIInChI=1S/C20H17ClFN3O2/c1-12-10-25(11-14-9-23-24-19(12)14)20(26)13-2-7-18(17(22)8-13)27-16-5-3-15(21)4-6-16/h2-9,12H,10-11H2,1H3,(H,23,24)
InChIKeyDVDRWJGXUCULQG-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.75
Rot. Bonds3

About [4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

[4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 167848357) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID167848357
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name[4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)Cc2cn[nH]c21
InChIInChI=1S/C20H17ClFN3O2/c1-12-10-25(11-14-9-23-24-19(12)14)20(26)13-2-7-18(17(22)8-13)27-16-5-3-15(21)4-6-16/h2-9,12H,10-11H2,1H3,(H,23,24)
InChIKeyDVDRWJGXUCULQG-UHFFFAOYSA-N
XLogP4.75
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenoxy)-3-fluorophenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492276
[4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647363
[4-[(2-methylmorpholin-4-yl)methyl]phenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 166255141
[4-(2,4-difluorophenoxy)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119577253
4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389286
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(2,4-difluorophenoxy)phenyl]methanone
CID 120659467
4-(4-chlorophenoxy)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443707
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride
CID 119458494
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide
CID 60607234
(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65418976
[4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone
CID 101215966

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 167848357) is [4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is CC1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)Cc2cn[nH]c21.
What is the InChIKey of [4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is DVDRWJGXUCULQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-12-10-25(11-14-9-23-24-19(12)14)20(26)13-2-7-18(17(22)8-13)27-16-5-3-15(21)4-6-16/h2-9,12H,10-11H2,1H3,(H,23,24).
What are the key properties of [4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
[4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 385.83 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 167848357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).