trans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine

C23H28N4 — CID 155266024

IUPACtrans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine
SMILESc1ccc([C@H]2C[C@@H]2NCC2(CNCc3ncc4ccccn34)CCC2)cc1
InChIInChI=1S/C23H28N4/c1-2-7-18(8-3-1)20-13-21(20)26-17-23(10-6-11-23)16-24-15-22-25-14-19-9-4-5-12-27(19)22/h1-5,7-9,12,14,20-21,24,26H,6,10-11,13,15-17H2/t20-,21+/m1/s1
InChIKeyQWGKGGRVGRYULN-RTWAWAEBSA-N
MW360.50 g/mol
LogP3.74
Rot. Bonds8

About trans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine

trans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 155266024) has the molecular formula C23H28N4 and a molecular weight of 360.50 g/mol. Its IUPAC name is trans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID155266024
Molecular FormulaC23H28N4
Molecular Weight360.50 g/mol
Exact Mass360.23
IUPAC Nametrans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine
SMILESc1ccc([C@H]2C[C@@H]2NCC2(CNCc3ncc4ccccn34)CCC2)cc1
InChIInChI=1S/C23H28N4/c1-2-7-18(8-3-1)20-13-21(20)26-17-23(10-6-11-23)16-24-15-22-25-14-19-9-4-5-12-27(19)22/h1-5,7-9,12,14,20-21,24,26H,6,10-11,13,15-17H2/t20-,21+/m1/s1
InChIKeyQWGKGGRVGRYULN-RTWAWAEBSA-N
XLogP3.74
TPSA41.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine (CID 155266024) is trans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine is c1ccc([C@H]2C[C@@H]2NCC2(CNCc3ncc4ccccn34)CCC2)cc1.
What is the InChIKey of trans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is QWGKGGRVGRYULN-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H28N4/c1-2-7-18(8-3-1)20-13-21(20)26-17-23(10-6-11-23)16-24-15-22-25-14-19-9-4-5-12-27(19)22/h1-5,7-9,12,14,20-21,24,26H,6,10-11,13,15-17H2/t20-,21+/m1/s1.
What are the key properties of trans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine?
trans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 360.50 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 155266024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).