3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine

C19H23N5O — CID 163399839

IUPAC3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine
SMILESC(#Cc1cccn2c(N3C=CCNC3)cnc12)COC1CCNCC1
InChIInChI=1S/C19H23N5O/c1-4-16(5-2-13-25-17-6-9-20-10-7-17)19-22-14-18(24(19)12-1)23-11-3-8-21-15-23/h1,3-4,11-12,14,17,20-21H,6-10,13,15H2
InChIKeyFNRWJMFAURZIQJ-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.34
Rot. Bonds3

About 3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine

3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine (PubChem CID 163399839) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine
PubChem CID163399839
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine
SMILESC(#Cc1cccn2c(N3C=CCNC3)cnc12)COC1CCNCC1
InChIInChI=1S/C19H23N5O/c1-4-16(5-2-13-25-17-6-9-20-10-7-17)19-22-14-18(24(19)12-1)23-11-3-8-21-15-23/h1,3-4,11-12,14,17,20-21H,6-10,13,15H2
InChIKeyFNRWJMFAURZIQJ-UHFFFAOYSA-N
XLogP1.34
TPSA53.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine (CID 163399839) is 3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine is C(#Cc1cccn2c(N3C=CCNC3)cnc12)COC1CCNCC1.
What is the InChIKey of 3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine?
The InChIKey is FNRWJMFAURZIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-16(5-2-13-25-17-6-9-20-10-7-17)19-22-14-18(24(19)12-1)23-11-3-8-21-15-23/h1,3-4,11-12,14,17,20-21H,6-10,13,15H2.
What are the key properties of 3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine?
3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine has a molecular weight of 337.43 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dihydro-1H-pyrimidin-3-yl)-8-(3-piperidin-4-yloxyprop-1-ynyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 163399839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).