[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone

C17H22N6O2 — CID 56821659

IUPAC[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)C3CC3c3cnn(C)c3)CC2)n1
InChIInChI=1S/C17H22N6O2/c1-21-11-12(10-19-21)13-9-14(13)16(24)22-5-7-23(8-6-22)17-18-4-3-15(20-17)25-2/h3-4,10-11,13-14H,5-9H2,1-2H3
InChIKeyBQKZZUIFVPKHHT-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.67
Rot. Bonds4

About [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone

[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone (PubChem CID 56821659) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
PubChem CID56821659
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)C3CC3c3cnn(C)c3)CC2)n1
InChIInChI=1S/C17H22N6O2/c1-21-11-12(10-19-21)13-9-14(13)16(24)22-5-7-23(8-6-22)17-18-4-3-15(20-17)25-2/h3-4,10-11,13-14H,5-9H2,1-2H3
InChIKeyBQKZZUIFVPKHHT-UHFFFAOYSA-N
XLogP0.67
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The IUPAC name of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone (CID 56821659) is [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone.
What is the SMILES notation for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The canonical SMILES for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone is COc1ccnc(N2CCN(C(=O)C3CC3c3cnn(C)c3)CC2)n1.
What is the InChIKey of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The InChIKey is BQKZZUIFVPKHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-21-11-12(10-19-21)13-9-14(13)16(24)22-5-7-23(8-6-22)17-18-4-3-15(20-17)25-2/h3-4,10-11,13-14H,5-9H2,1-2H3.
What are the key properties of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone has a molecular weight of 342.40 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone is sourced from PubChem (CID 56821659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).