methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate

C18H25N3O2 — CID 117133970

IUPACmethyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(CC3CCN(C(C)C)CC3)nc2c1
InChIInChI=1S/C18H25N3O2/c1-13(2)20-7-4-14(5-8-20)10-16-12-21-9-6-15(18(22)23-3)11-17(21)19-16/h6,9,11-14H,4-5,7-8,10H2,1-3H3
InChIKeyCLLPGFQSYHCART-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.78
Rot. Bonds4

About methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate

methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 117133970) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID117133970
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Namemethyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(CC3CCN(C(C)C)CC3)nc2c1
InChIInChI=1S/C18H25N3O2/c1-13(2)20-7-4-14(5-8-20)10-16-12-21-9-6-15(18(22)23-3)11-17(21)19-16/h6,9,11-14H,4-5,7-8,10H2,1-3H3
InChIKeyCLLPGFQSYHCART-UHFFFAOYSA-N
XLogP2.78
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate (CID 117133970) is methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2cc(CC3CCN(C(C)C)CC3)nc2c1.
What is the InChIKey of methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is CLLPGFQSYHCART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)20-7-4-14(5-8-20)10-16-12-21-9-6-15(18(22)23-3)11-17(21)19-16/h6,9,11-14H,4-5,7-8,10H2,1-3H3.
What are the key properties of methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 315.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 117133970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).