5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine

C19H21BrN4O — CID 171037251

IUPAC5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine
SMILESBrc1cc2c(-c3cnn(C4CCCCO4)c3)cn(CC3CC3)c2cn1
InChIInChI=1S/C19H21BrN4O/c20-18-7-15-16(12-23(10-13-4-5-13)17(15)9-21-18)14-8-22-24(11-14)19-3-1-2-6-25-19/h7-9,11-13,19H,1-6,10H2
InChIKeyCYCNIJCRLHOHLT-UHFFFAOYSA-N
MW401.31 g/mol
LogP4.77
Rot. Bonds4

About 5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine

5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine (PubChem CID 171037251) has the molecular formula C19H21BrN4O and a molecular weight of 401.31 g/mol. Its IUPAC name is 5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine
PubChem CID171037251
Molecular FormulaC19H21BrN4O
Molecular Weight401.31 g/mol
Exact Mass400.09
IUPAC Name5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine
SMILESBrc1cc2c(-c3cnn(C4CCCCO4)c3)cn(CC3CC3)c2cn1
InChIInChI=1S/C19H21BrN4O/c20-18-7-15-16(12-23(10-13-4-5-13)17(15)9-21-18)14-8-22-24(11-14)19-3-1-2-6-25-19/h7-9,11-13,19H,1-6,10H2
InChIKeyCYCNIJCRLHOHLT-UHFFFAOYSA-N
XLogP4.77
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine
CID 171037256
5-bromo-3-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methylpyrrolo[2,3-c]pyridine
CID 171037227
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
5-bromo-3-iodo-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridine
CID 171037213
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]benzimidazole
CID 118674361
5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine
CID 118676597
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
1-[[(3S,5S)-5-methylpyrrolidin-3-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]benzimidazole
CID 118674379
1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indole
CID 118678071
[4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol
CID 166243854
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
4-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-6-ol
CID 175708982

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine (CID 171037251) is 5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine is Brc1cc2c(-c3cnn(C4CCCCO4)c3)cn(CC3CC3)c2cn1.
What is the InChIKey of 5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine?
The InChIKey is CYCNIJCRLHOHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O/c20-18-7-15-16(12-23(10-13-4-5-13)17(15)9-21-18)14-8-22-24(11-14)19-3-1-2-6-25-19/h7-9,11-13,19H,1-6,10H2.
What are the key properties of 5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine?
5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine has a molecular weight of 401.31 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 171037251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).