(5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C16H18N8O — CID 29327180

IUPAC(5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cn1
InChIInChI=1S/C16H18N8O/c1-11-7-18-13(9-17-11)16(25)24-5-3-23(4-6-24)15-12-8-21-22(2)14(12)19-10-20-15/h7-10H,3-6H2,1-2H3
InChIKeyOZRCZYQAEWSEHE-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.42
Rot. Bonds2

About (5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

(5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 29327180) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID29327180
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name(5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cn1
InChIInChI=1S/C16H18N8O/c1-11-7-18-13(9-17-11)16(25)24-5-3-23(4-6-24)15-12-8-21-22(2)14(12)19-10-20-15/h7-10H,3-6H2,1-2H3
InChIKeyOZRCZYQAEWSEHE-UHFFFAOYSA-N
XLogP0.42
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 29327180) is (5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cnc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is OZRCZYQAEWSEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c1-11-7-18-13(9-17-11)16(25)24-5-3-23(4-6-24)15-12-8-21-22(2)14(12)19-10-20-15/h7-10H,3-6H2,1-2H3.
What are the key properties of (5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 338.38 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 29327180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).