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

C17H22N6O2 — CID 95590798

IUPAC[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cnn(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/t13-,14+/m1/s1
InChIKeyBQKZZUIFVPKHHT-KGLIPLIRSA-N
MW342.40 g/mol
LogP0.67
Rot. Bonds4

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

[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone (PubChem CID 95590798) 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]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
PubChem CID95590798
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cnn(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/t13-,14+/m1/s1
InChIKeyBQKZZUIFVPKHHT-KGLIPLIRSA-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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Related Compounds

[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 56821659
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95145272
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95589754
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95590745
2,5-dihydro-1H-pyrrol-2-yl-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 154910700
cyclohex-3-en-1-yl-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 56814584
[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 95590974
6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 95590816
4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 56826138
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95334365
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95334362

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The IUPAC name of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone (CID 95590798) is [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone.
What is the SMILES notation for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The canonical SMILES for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone is COc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cnn(C)c3)CC2)n1.
What is the InChIKey of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The InChIKey is BQKZZUIFVPKHHT-KGLIPLIRSA-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/t13-,14+/m1/s1.
What are the key properties of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-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]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone is sourced from PubChem (CID 95590798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).