3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine

C18H14N6 — CID 155780047

IUPAC3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine
SMILESc1cnc(-c2ncc([C@H]3C[C@H]3c3cnc4ccccn34)cn2)nc1
InChIInChI=1S/C18H14N6/c1-2-7-24-15(11-21-16(24)4-1)14-8-13(14)12-9-22-18(23-10-12)17-19-5-3-6-20-17/h1-7,9-11,13-14H,8H2/t13-,14-/m1/s1
InChIKeyQPTMOHRCHHZDNB-ZIAGYGMSSA-N
MW314.35 g/mol
LogP2.85
Rot. Bonds3

About 3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine

3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine (PubChem CID 155780047) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine
PubChem CID155780047
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Name3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine
SMILESc1cnc(-c2ncc([C@H]3C[C@H]3c3cnc4ccccn34)cn2)nc1
InChIInChI=1S/C18H14N6/c1-2-7-24-15(11-21-16(24)4-1)14-8-13(14)12-9-22-18(23-10-12)17-19-5-3-6-20-17/h1-7,9-11,13-14H,8H2/t13-,14-/m1/s1
InChIKeyQPTMOHRCHHZDNB-ZIAGYGMSSA-N
XLogP2.85
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine (CID 155780047) is 3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine is c1cnc(-c2ncc([C@H]3C[C@H]3c3cnc4ccccn34)cn2)nc1.
What is the InChIKey of 3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine?
The InChIKey is QPTMOHRCHHZDNB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H14N6/c1-2-7-24-15(11-21-16(24)4-1)14-8-13(14)12-9-22-18(23-10-12)17-19-5-3-6-20-17/h1-7,9-11,13-14H,8H2/t13-,14-/m1/s1.
What are the key properties of 3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine?
3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine has a molecular weight of 314.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155780047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).