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

C23H24N8 — CID 177373572

IUPAC1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
SMILESC1=Nc2cncc(-c3cn(Cc4cn5cc(CNCC6CCC6)ccc5n4)nn3)c2C1
InChIInChI=1S/C23H24N8/c1-2-16(3-1)8-24-9-17-4-5-23-27-18(13-30(23)12-17)14-31-15-22(28-29-31)20-10-25-11-21-19(20)6-7-26-21/h4-5,7,10-13,15-16,24H,1-3,6,8-9,14H2
InChIKeyXXWMWWMNHKGHOG-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.18
Rot. Bonds7

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

1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine (PubChem CID 177373572) has the molecular formula C23H24N8 and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
PubChem CID177373572
Molecular FormulaC23H24N8
Molecular Weight412.50 g/mol
Exact Mass412.21
IUPAC Name1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
SMILESC1=Nc2cncc(-c3cn(Cc4cn5cc(CNCC6CCC6)ccc5n4)nn3)c2C1
InChIInChI=1S/C23H24N8/c1-2-16(3-1)8-24-9-17-4-5-23-27-18(13-30(23)12-17)14-31-15-22(28-29-31)20-10-25-11-21-19(20)6-7-26-21/h4-5,7,10-13,15-16,24H,1-3,6,8-9,14H2
InChIKeyXXWMWWMNHKGHOG-UHFFFAOYSA-N
XLogP3.18
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine?
The IUPAC name of 1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine (CID 177373572) is 1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine is C1=Nc2cncc(-c3cn(Cc4cn5cc(CNCC6CCC6)ccc5n4)nn3)c2C1.
What is the InChIKey of 1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine?
The InChIKey is XXWMWWMNHKGHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8/c1-2-16(3-1)8-24-9-17-4-5-23-27-18(13-30(23)12-17)14-31-15-22(28-29-31)20-10-25-11-21-19(20)6-7-26-21/h4-5,7,10-13,15-16,24H,1-3,6,8-9,14H2.
What are the key properties of 1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine?
1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine has a molecular weight of 412.50 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine is sourced from PubChem (CID 177373572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).