6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine

C19H19N7 — CID 118214093

IUPAC6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine
SMILESCCCn1cc(-c2ccc3[nH]n(Cc4ccc5nccn5c4)c3n2)cn1
InChIInChI=1S/C19H19N7/c1-2-8-25-13-15(10-21-25)16-4-5-17-19(22-16)26(23-17)12-14-3-6-18-20-7-9-24(18)11-14/h3-7,9-11,13,23H,2,8,12H2,1H3
InChIKeyLTOAVRXFUDBTHP-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.33
Rot. Bonds5

About 6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine

6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 118214093) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID118214093
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine
SMILESCCCn1cc(-c2ccc3[nH]n(Cc4ccc5nccn5c4)c3n2)cn1
InChIInChI=1S/C19H19N7/c1-2-8-25-13-15(10-21-25)16-4-5-17-19(22-16)26(23-17)12-14-3-6-18-20-7-9-24(18)11-14/h3-7,9-11,13,23H,2,8,12H2,1H3
InChIKeyLTOAVRXFUDBTHP-UHFFFAOYSA-N
XLogP3.33
TPSA68.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-(1-propylpyrazol-4-yl)pyrazin-2-amine
CID 155150035
1-[4-[8-(quinolin-6-ylmethyl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]pyrazol-1-yl]propan-2-ol
CID 118651379
6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine
CID 155149835
2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile
CID 53261693
6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
CID 140911997
2-[4-[5-diazenyl-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol
CID 167146802
2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol
CID 139321220
ethane;6-ethylimidazo[1,2-a]pyridine
CID 142917283
2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine
CID 123363206
3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine
CID 123818609
5-[8-(imidazo[1,2-a]pyridin-6-ylmethyl)-7-methyl-2,5,7,8-tetrazabicyclo[4.2.0]octa-1,3,5-trien-3-yl]pyridine-2-carbonitrile
CID 123406848
imidazo[1,2-a]pyridin-6-ylmethanol;hydrochloride
CID 71748611

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine (CID 118214093) is 6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine is CCCn1cc(-c2ccc3[nH]n(Cc4ccc5nccn5c4)c3n2)cn1.
What is the InChIKey of 6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is LTOAVRXFUDBTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-2-8-25-13-15(10-21-25)16-4-5-17-19(22-16)26(23-17)12-14-3-6-18-20-7-9-24(18)11-14/h3-7,9-11,13,23H,2,8,12H2,1H3.
What are the key properties of 6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine?
6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 345.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 118214093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).