2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine

C19H21BrN4O — CID 86879238

IUPAC2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine
SMILESCc1nn(C)c2ncc(CN3CCOC(c4ccccc4Br)C3)cc12
InChIInChI=1S/C19H21BrN4O/c1-13-16-9-14(10-21-19(16)23(2)22-13)11-24-7-8-25-18(12-24)15-5-3-4-6-17(15)20/h3-6,9-10,18H,7-8,11-12H2,1-2H3
InChIKeyWXUNDPXQFHOUBS-UHFFFAOYSA-N
MW401.31 g/mol
LogP3.61
Rot. Bonds3

About 2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine

2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine (PubChem CID 86879238) has the molecular formula C19H21BrN4O and a molecular weight of 401.31 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine
PubChem CID86879238
Molecular FormulaC19H21BrN4O
Molecular Weight401.31 g/mol
Exact Mass400.09
IUPAC Name2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine
SMILESCc1nn(C)c2ncc(CN3CCOC(c4ccccc4Br)C3)cc12
InChIInChI=1S/C19H21BrN4O/c1-13-16-9-14(10-21-19(16)23(2)22-13)11-24-7-8-25-18(12-24)15-5-3-4-6-17(15)20/h3-6,9-10,18H,7-8,11-12H2,1-2H3
InChIKeyWXUNDPXQFHOUBS-UHFFFAOYSA-N
XLogP3.61
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylmorpholine
CID 87015309
2-(2-bromophenyl)-4-propylmorpholine
CID 82184644
1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine
CID 120967699
2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide
CID 95694316
2-(2-bromophenyl)-4-(6-methylpyrazin-2-yl)morpholine
CID 133469570
5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 86879239
[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 87015876
1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine
CID 87013100
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 87015872
N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide
CID 87013788
methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate
CID 91653639
1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine
CID 91649177

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine?
The IUPAC name of 2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine (CID 86879238) is 2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine.
What is the SMILES notation for 2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine?
The canonical SMILES for 2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine is Cc1nn(C)c2ncc(CN3CCOC(c4ccccc4Br)C3)cc12.
What is the InChIKey of 2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine?
The InChIKey is WXUNDPXQFHOUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O/c1-13-16-9-14(10-21-19(16)23(2)22-13)11-24-7-8-25-18(12-24)15-5-3-4-6-17(15)20/h3-6,9-10,18H,7-8,11-12H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine?
2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine has a molecular weight of 401.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine is sourced from PubChem (CID 86879238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).