3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine

C19H25N5 — CID 95707908

IUPAC3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
SMILESCc1nccn1C[C@H]1CCCN(Cc2nc(C)n3ccccc23)C1
InChIInChI=1S/C19H25N5/c1-15-20-8-11-23(15)13-17-6-5-9-22(12-17)14-18-19-7-3-4-10-24(19)16(2)21-18/h3-4,7-8,10-11,17H,5-6,9,12-14H2,1-2H3/t17-/m0/s1
InChIKeyKJGVKMOIEMECNW-KRWDZBQOSA-N
MW323.44 g/mol
LogP3.06
Rot. Bonds4

About 3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine

3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine (PubChem CID 95707908) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
PubChem CID95707908
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
SMILESCc1nccn1C[C@H]1CCCN(Cc2nc(C)n3ccccc23)C1
InChIInChI=1S/C19H25N5/c1-15-20-8-11-23(15)13-17-6-5-9-22(12-17)14-18-19-7-3-4-10-24(19)16(2)21-18/h3-4,7-8,10-11,17H,5-6,9,12-14H2,1-2H3/t17-/m0/s1
InChIKeyKJGVKMOIEMECNW-KRWDZBQOSA-N
XLogP3.06
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine (CID 95707908) is 3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine is Cc1nccn1C[C@H]1CCCN(Cc2nc(C)n3ccccc23)C1.
What is the InChIKey of 3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine?
The InChIKey is KJGVKMOIEMECNW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N5/c1-15-20-8-11-23(15)13-17-6-5-9-22(12-17)14-18-19-7-3-4-10-24(19)16(2)21-18/h3-4,7-8,10-11,17H,5-6,9,12-14H2,1-2H3/t17-/m0/s1.
What are the key properties of 3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine?
3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine has a molecular weight of 323.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 95707908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).