(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C15H15N7O — CID 77089555

IUPAC(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cnc(C(=O)N2CCc3nc(-c4cn[nH]c4)[nH]c3C2)cn1
InChIInChI=1S/C15H15N7O/c1-9-4-17-12(7-16-9)15(23)22-3-2-11-13(8-22)21-14(20-11)10-5-18-19-6-10/h4-7H,2-3,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyNEBNZXOESOWPES-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.10
Rot. Bonds2

About (5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 77089555) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID77089555
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cnc(C(=O)N2CCc3nc(-c4cn[nH]c4)[nH]c3C2)cn1
InChIInChI=1S/C15H15N7O/c1-9-4-17-12(7-16-9)15(23)22-3-2-11-13(8-22)21-14(20-11)10-5-18-19-6-10/h4-7H,2-3,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyNEBNZXOESOWPES-UHFFFAOYSA-N
XLogP1.10
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 77089555) is (5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cc1cnc(C(=O)N2CCc3nc(-c4cn[nH]c4)[nH]c3C2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is NEBNZXOESOWPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c1-9-4-17-12(7-16-9)15(23)22-3-2-11-13(8-22)21-14(20-11)10-5-18-19-6-10/h4-7H,2-3,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of (5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 309.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 77089555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).