3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine

C37H32Cl2N8O — CID 159065513

IUPAC3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOC(c1c(C)nn(-c2ccccc2)c1Cl)c1c[nH]c2ncccc12.Cc1nn(-c2ccccc2)c(Cl)c1Cc1c[nH]c2ncccc12
InChIInChI=1S/C19H17ClN4O.C18H15ClN4/c1-12-16(18(20)24(23-12)13-7-4-3-5-8-13)17(25-2)15-11-22-19-14(15)9-6-10-21-19;1-12-16(10-13-11-21-18-15(13)8-5-9-20-18)17(19)23(22-12)14-6-3-2-4-7-14/h3-11,17H,1-2H3,(H,21,22);2-9,11H,10H2,1H3,(H,20,21)
InChIKeyJYZSELSQZDFWSV-UHFFFAOYSA-N
MW675.62 g/mol
LogP8.75
Rot. Bonds7

About 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine

3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159065513) has the molecular formula C37H32Cl2N8O and a molecular weight of 675.62 g/mol. Its IUPAC name is 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID159065513
Molecular FormulaC37H32Cl2N8O
Molecular Weight675.62 g/mol
Exact Mass674.21
IUPAC Name3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOC(c1c(C)nn(-c2ccccc2)c1Cl)c1c[nH]c2ncccc12.Cc1nn(-c2ccccc2)c(Cl)c1Cc1c[nH]c2ncccc12
InChIInChI=1S/C19H17ClN4O.C18H15ClN4/c1-12-16(18(20)24(23-12)13-7-4-3-5-8-13)17(25-2)15-11-22-19-14(15)9-6-10-21-19;1-12-16(10-13-11-21-18-15(13)8-5-9-20-18)17(19)23(22-12)14-6-3-2-4-7-14/h3-11,17H,1-2H3,(H,21,22);2-9,11H,10H2,1H3,(H,20,21)
InChIKeyJYZSELSQZDFWSV-UHFFFAOYSA-N
XLogP8.75
TPSA102.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.62
LogP ≤ 58.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

7-[(2,6-dichloro-3-fluorophenyl)-methoxymethyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 54597316
[5-[4-chloro-3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(2-methylpyrazol-3-yl)methanol
CID 57537656
5-[(2,6-dichloro-3-fluorophenyl)(methoxy)methyl]-3-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-c]pyridazine
CID 86679065
3-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)(methoxy)methyl)-1H-pyrrolo[2,3-b]pyridine
CID 59593358
4-(1-ethoxy-1-phenylethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 67208946
2-[4-[3-[2-amino-6-[(R)-methoxy(phenyl)methyl]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethanol
CID 68311383
4-(2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 90384750
4-[3-[(2R)-2-(4-chlorophenyl)-2-methoxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 117940810
4-(3-(2-(4-chlorophenyl)-2-methoxyethyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine
CID 117940812
4-[3-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 117940923
4-[3-[(2R)-2-(4-chlorophenyl)-2-methoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118216356
4-[3-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118216882

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine (CID 159065513) is 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine is COC(c1c(C)nn(-c2ccccc2)c1Cl)c1c[nH]c2ncccc12.Cc1nn(-c2ccccc2)c(Cl)c1Cc1c[nH]c2ncccc12.
What is the InChIKey of 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is JYZSELSQZDFWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O.C18H15ClN4/c1-12-16(18(20)24(23-12)13-7-4-3-5-8-13)17(25-2)15-11-22-19-14(15)9-6-10-21-19;1-12-16(10-13-11-21-18-15(13)8-5-9-20-18)17(19)23(22-12)14-6-3-2-4-7-14/h3-11,17H,1-2H3,(H,21,22);2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 675.62 g/mol, XLogP of 8.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159065513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).