(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone

C16H20N6O — CID 84578569

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone
SMILESO=C(C1CCn2ccnc2C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H20N6O/c23-15(13-2-6-20-7-5-17-14(20)12-13)21-8-10-22(11-9-21)16-18-3-1-4-19-16/h1,3-5,7,13H,2,6,8-12H2
InChIKeyPCAXRJYYFNCSCN-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.58
Rot. Bonds2

About (4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone

(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone (PubChem CID 84578569) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone
PubChem CID84578569
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone
SMILESO=C(C1CCn2ccnc2C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H20N6O/c23-15(13-2-6-20-7-5-17-14(20)12-13)21-8-10-22(11-9-21)16-18-3-1-4-19-16/h1,3-5,7,13H,2,6,8-12H2
InChIKeyPCAXRJYYFNCSCN-UHFFFAOYSA-N
XLogP0.58
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone (CID 84578569) is (4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone is O=C(C1CCn2ccnc2C1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone?
The InChIKey is PCAXRJYYFNCSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c23-15(13-2-6-20-7-5-17-14(20)12-13)21-8-10-22(11-9-21)16-18-3-1-4-19-16/h1,3-5,7,13H,2,6,8-12H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone has a molecular weight of 312.38 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone is sourced from PubChem (CID 84578569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).