2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one

C12H15N3O — CID 105471153

IUPAC2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(CC3CCNC3)cn12
InChIInChI=1S/C12H15N3O/c16-12-3-1-2-11-14-10(8-15(11)12)6-9-4-5-13-7-9/h1-3,8-9,13-14H,4-7H2
InChIKeySRDIJFIXBZXXOK-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.78
Rot. Bonds2

About 2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one

2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 105471153) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID105471153
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(CC3CCNC3)cn12
InChIInChI=1S/C12H15N3O/c16-12-3-1-2-11-14-10(8-15(11)12)6-9-4-5-13-7-9/h1-3,8-9,13-14H,4-7H2
InChIKeySRDIJFIXBZXXOK-UHFFFAOYSA-N
XLogP0.78
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one (CID 105471153) is 2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one is O=c1cccc2[nH]c(CC3CCNC3)cn12.
What is the InChIKey of 2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is SRDIJFIXBZXXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12-3-1-2-11-14-10(8-15(11)12)6-9-4-5-13-7-9/h1-3,8-9,13-14H,4-7H2.
What are the key properties of 2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one?
2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 217.27 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 105471153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).