1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine

C24H25N7 — CID 163239044

IUPAC1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
SMILESc1cc2cc(-c3cn(Cc4cn5cc(CNCC6CCC6)ccc5n4)cn3)cnc2[nH]1
InChIInChI=1S/C24H25N7/c1-2-17(3-1)9-25-10-18-4-5-23-29-21(14-31(23)12-18)13-30-15-22(28-16-30)20-8-19-6-7-26-24(19)27-11-20/h4-8,11-12,14-17,25H,1-3,9-10,13H2,(H,26,27)
InChIKeyCHQIPBRYTRXWJE-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.01
Rot. Bonds7

About 1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine

1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine (PubChem CID 163239044) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
PubChem CID163239044
Molecular FormulaC24H25N7
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC Name1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
SMILESc1cc2cc(-c3cn(Cc4cn5cc(CNCC6CCC6)ccc5n4)cn3)cnc2[nH]1
InChIInChI=1S/C24H25N7/c1-2-17(3-1)9-25-10-18-4-5-23-29-21(14-31(23)12-18)13-30-15-22(28-16-30)20-8-19-6-7-26-24(19)27-11-20/h4-8,11-12,14-17,25H,1-3,9-10,13H2,(H,26,27)
InChIKeyCHQIPBRYTRXWJE-UHFFFAOYSA-N
XLogP4.01
TPSA75.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine?
The IUPAC name of 1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine (CID 163239044) is 1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine is c1cc2cc(-c3cn(Cc4cn5cc(CNCC6CCC6)ccc5n4)cn3)cnc2[nH]1.
What is the InChIKey of 1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine?
The InChIKey is CHQIPBRYTRXWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7/c1-2-17(3-1)9-25-10-18-4-5-23-29-21(14-31(23)12-18)13-30-15-22(28-16-30)20-8-19-6-7-26-24(19)27-11-20/h4-8,11-12,14-17,25H,1-3,9-10,13H2,(H,26,27).
What are the key properties of 1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine?
1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine has a molecular weight of 411.51 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[[2-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine is sourced from PubChem (CID 163239044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).