5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole

C19H22BrN5O — CID 162008756

IUPAC5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole
SMILESCn1nc(Br)nc1Cc1ccc2c(cnn2C2CCCCO2)c1C1CC1
InChIInChI=1S/C19H22BrN5O/c1-24-16(22-19(20)23-24)10-13-7-8-15-14(18(13)12-5-6-12)11-21-25(15)17-4-2-3-9-26-17/h7-8,11-12,17H,2-6,9-10H2,1H3
InChIKeyYTELIZNOVNIWJJ-UHFFFAOYSA-N
MW416.32 g/mol
LogP4.09
Rot. Bonds4

About 5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole

5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole (PubChem CID 162008756) has the molecular formula C19H22BrN5O and a molecular weight of 416.32 g/mol. Its IUPAC name is 5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole
PubChem CID162008756
Molecular FormulaC19H22BrN5O
Molecular Weight416.32 g/mol
Exact Mass415.10
IUPAC Name5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole
SMILESCn1nc(Br)nc1Cc1ccc2c(cnn2C2CCCCO2)c1C1CC1
InChIInChI=1S/C19H22BrN5O/c1-24-16(22-19(20)23-24)10-13-7-8-15-14(18(13)12-5-6-12)11-21-25(15)17-4-2-3-9-26-17/h7-8,11-12,17H,2-6,9-10H2,1H3
InChIKeyYTELIZNOVNIWJJ-UHFFFAOYSA-N
XLogP4.09
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 118798481
5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole
CID 23134542
4-[5-[[4-cyclopropyl-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 139366053
[5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 171567858
4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
CID 121228913
2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
CID 170560839
6-bromo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228962
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
5-cyclopropyl-6-methyl-1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 164534746

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole?
The IUPAC name of 5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole (CID 162008756) is 5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole.
What is the SMILES notation for 5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole?
The canonical SMILES for 5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole is Cn1nc(Br)nc1Cc1ccc2c(cnn2C2CCCCO2)c1C1CC1.
What is the InChIKey of 5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole?
The InChIKey is YTELIZNOVNIWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O/c1-24-16(22-19(20)23-24)10-13-7-8-15-14(18(13)12-5-6-12)11-21-25(15)17-4-2-3-9-26-17/h7-8,11-12,17H,2-6,9-10H2,1H3.
What are the key properties of 5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole?
5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole has a molecular weight of 416.32 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole is sourced from PubChem (CID 162008756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).