(2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C14H14N6O — CID 72856918

IUPAC(2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1nc2ncccn2c1C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C14H14N6O/c1-9-12(20-5-2-4-15-14(20)18-9)13(21)19-6-3-10-11(7-19)17-8-16-10/h2,4-5,8H,3,6-7H2,1H3,(H,16,17)
InChIKeyOFFKDMZPRQPGMH-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.96
Rot. Bonds1

About (2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 72856918) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is (2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID72856918
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name(2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1nc2ncccn2c1C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C14H14N6O/c1-9-12(20-5-2-4-15-14(20)18-9)13(21)19-6-3-10-11(7-19)17-8-16-10/h2,4-5,8H,3,6-7H2,1H3,(H,16,17)
InChIKeyOFFKDMZPRQPGMH-UHFFFAOYSA-N
XLogP0.96
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 72856918) is (2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is Cc1nc2ncccn2c1C(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of (2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is OFFKDMZPRQPGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-9-12(20-5-2-4-15-14(20)18-9)13(21)19-6-3-10-11(7-19)17-8-16-10/h2,4-5,8H,3,6-7H2,1H3,(H,16,17).
What are the key properties of (2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
(2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 282.31 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazo[1,2-a]pyrimidin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 72856918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).