3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene

C19H21N5 — CID 138810345

IUPAC3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene
SMILESCc1nc2ccccn2c1-c1nnc2n1C1CC3CC(CC2C3)C1
InChIInChI=1S/C19H21N5/c1-11-17(23-5-3-2-4-16(23)20-11)19-22-21-18-14-7-12-6-13(8-14)10-15(9-12)24(18)19/h2-5,12-15H,6-10H2,1H3
InChIKeyYSDUOWCLNPDPJI-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.75
Rot. Bonds1

About 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene

3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene (PubChem CID 138810345) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene.

Molecular Properties

Compound Name3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene
PubChem CID138810345
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene
SMILESCc1nc2ccccn2c1-c1nnc2n1C1CC3CC(CC2C3)C1
InChIInChI=1S/C19H21N5/c1-11-17(23-5-3-2-4-16(23)20-11)19-22-21-18-14-7-12-6-13(8-14)10-15(9-12)24(18)19/h2-5,12-15H,6-10H2,1H3
InChIKeyYSDUOWCLNPDPJI-UHFFFAOYSA-N
XLogP3.75
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene?
The IUPAC name of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene (CID 138810345) is 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene.
What is the SMILES notation for 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene?
The canonical SMILES for 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene is Cc1nc2ccccn2c1-c1nnc2n1C1CC3CC(CC2C3)C1.
What is the InChIKey of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene?
The InChIKey is YSDUOWCLNPDPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-11-17(23-5-3-2-4-16(23)20-11)19-22-21-18-14-7-12-6-13(8-14)10-15(9-12)24(18)19/h2-5,12-15H,6-10H2,1H3.
What are the key properties of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene?
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene has a molecular weight of 319.41 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene is sourced from PubChem (CID 138810345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).