16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene

C24H25N5 — CID 51038120

IUPAC16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene
SMILESc1cn2ccc(-c3ccc4c(c3)nc3n4CC4CCC(C3)N4C3CCC3)cc2n1
InChIInChI=1S/C24H25N5/c1-2-18(3-1)29-19-5-6-20(29)15-28-22-7-4-16(12-21(22)26-24(28)14-19)17-8-10-27-11-9-25-23(27)13-17/h4,7-13,18-20H,1-3,5-6,14-15H2
InChIKeyRQOGUTFGVZJJKC-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.29
Rot. Bonds2

About 16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene

16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene (PubChem CID 51038120) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene.

Molecular Properties

Compound Name16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene
PubChem CID51038120
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene
SMILESc1cn2ccc(-c3ccc4c(c3)nc3n4CC4CCC(C3)N4C3CCC3)cc2n1
InChIInChI=1S/C24H25N5/c1-2-18(3-1)29-19-5-6-20(29)15-28-22-7-4-16(12-21(22)26-24(28)14-19)17-8-10-27-11-9-25-23(27)13-17/h4,7-13,18-20H,1-3,5-6,14-15H2
InChIKeyRQOGUTFGVZJJKC-UHFFFAOYSA-N
XLogP4.29
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene?
The IUPAC name of 16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene (CID 51038120) is 16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene.
What is the SMILES notation for 16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene?
The canonical SMILES for 16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene is c1cn2ccc(-c3ccc4c(c3)nc3n4CC4CCC(C3)N4C3CCC3)cc2n1.
What is the InChIKey of 16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene?
The InChIKey is RQOGUTFGVZJJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-2-18(3-1)29-19-5-6-20(29)15-28-22-7-4-16(12-21(22)26-24(28)14-19)17-8-10-27-11-9-25-23(27)13-17/h4,7-13,18-20H,1-3,5-6,14-15H2.
What are the key properties of 16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene?
16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene has a molecular weight of 383.50 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-cyclobutyl-7-imidazo[1,2-a]pyridin-7-yl-3,10,16-triazatetracyclo[11.2.1.03,11.04,9]hexadeca-4(9),5,7,10-tetraene is sourced from PubChem (CID 51038120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).