4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline

C30H30N6 — CID 139326584

IUPAC4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
SMILESCc1cc(-c2cnc3cc(-c4cnc(N5CCC6(CCCN6)C5)c(C)c4)ccn23)c2ccccc2n1
InChIInChI=1S/C30H30N6/c1-20-14-23(17-32-29(20)35-13-10-30(19-35)9-5-11-33-30)22-8-12-36-27(18-31-28(36)16-22)25-15-21(2)34-26-7-4-3-6-24(25)26/h3-4,6-8,12,14-18,33H,5,9-11,13,19H2,1-2H3
InChIKeyIPEFWZSKBRMPLL-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.56
Rot. Bonds3

About 4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline

4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline (PubChem CID 139326584) has the molecular formula C30H30N6 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline.

Molecular Properties

Compound Name4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
PubChem CID139326584
Molecular FormulaC30H30N6
Molecular Weight474.61 g/mol
Exact Mass474.25
IUPAC Name4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
SMILESCc1cc(-c2cnc3cc(-c4cnc(N5CCC6(CCCN6)C5)c(C)c4)ccn23)c2ccccc2n1
InChIInChI=1S/C30H30N6/c1-20-14-23(17-32-29(20)35-13-10-30(19-35)9-5-11-33-30)22-8-12-36-27(18-31-28(36)16-22)25-15-21(2)34-26-7-4-3-6-24(25)26/h3-4,6-8,12,14-18,33H,5,9-11,13,19H2,1-2H3
InChIKeyIPEFWZSKBRMPLL-UHFFFAOYSA-N
XLogP5.56
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
The IUPAC name of 4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline (CID 139326584) is 4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline.
What is the SMILES notation for 4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
The canonical SMILES for 4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline is Cc1cc(-c2cnc3cc(-c4cnc(N5CCC6(CCCN6)C5)c(C)c4)ccn23)c2ccccc2n1.
What is the InChIKey of 4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
The InChIKey is IPEFWZSKBRMPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6/c1-20-14-23(17-32-29(20)35-13-10-30(19-35)9-5-11-33-30)22-8-12-36-27(18-31-28(36)16-22)25-15-21(2)34-26-7-4-3-6-24(25)26/h3-4,6-8,12,14-18,33H,5,9-11,13,19H2,1-2H3.
What are the key properties of 4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline has a molecular weight of 474.61 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline is sourced from PubChem (CID 139326584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).