3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C14H18BrN5 — CID 126901479

IUPAC3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESBrc1cnn(C2CN(Cc3ncc4n3CCCC4)C2)c1
InChIInChI=1S/C14H18BrN5/c15-11-5-17-20(7-11)13-8-18(9-13)10-14-16-6-12-3-1-2-4-19(12)14/h5-7,13H,1-4,8-10H2
InChIKeyJPRLCAGVLUJKFD-UHFFFAOYSA-N
MW336.24 g/mol
LogP2.24
Rot. Bonds3

About 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 126901479) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID126901479
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC Name3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESBrc1cnn(C2CN(Cc3ncc4n3CCCC4)C2)c1
InChIInChI=1S/C14H18BrN5/c15-11-5-17-20(7-11)13-8-18(9-13)10-14-16-6-12-3-1-2-4-19(12)14/h5-7,13H,1-4,8-10H2
InChIKeyJPRLCAGVLUJKFD-UHFFFAOYSA-N
XLogP2.24
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine
CID 126901314
2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine
CID 126901418
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126901538
1-[2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]ethyl]azepan-2-one
CID 126947041
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126945129
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126901439
5-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 126901329
2-[[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928330
6-cyclopropyl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927461
3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
CID 126947027
4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole
CID 126901486
2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole
CID 126901437

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 126901479) is 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is Brc1cnn(C2CN(Cc3ncc4n3CCCC4)C2)c1.
What is the InChIKey of 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is JPRLCAGVLUJKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/c15-11-5-17-20(7-11)13-8-18(9-13)10-14-16-6-12-3-1-2-4-19(12)14/h5-7,13H,1-4,8-10H2.
What are the key properties of 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 336.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 126901479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).