[2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

C22H31N5O2 — CID 110260421

IUPAC[2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC2c2cc(N3CCN(C)CC3)cc(C)n2)no1
InChIInChI=1S/C22H31N5O2/c1-4-6-18-15-20(24-29-18)22(28)27-8-5-7-21(27)19-14-17(13-16(2)23-19)26-11-9-25(3)10-12-26/h13-15,21H,4-12H2,1-3H3
InChIKeySGRNAKIWJDPEEI-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.06
Rot. Bonds5

About [2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

[2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (PubChem CID 110260421) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is [2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
PubChem CID110260421
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name[2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC2c2cc(N3CCN(C)CC3)cc(C)n2)no1
InChIInChI=1S/C22H31N5O2/c1-4-6-18-15-20(24-29-18)22(28)27-8-5-7-21(27)19-14-17(13-16(2)23-19)26-11-9-25(3)10-12-26/h13-15,21H,4-12H2,1-3H3
InChIKeySGRNAKIWJDPEEI-UHFFFAOYSA-N
XLogP3.06
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 92619780
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46266463
[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 96579442
(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731798
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 127247312
1-[4-[2-methyl-6-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 92619790
[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 92719861
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92893503
(2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586742
1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 92619920
(4-chloro-1-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586726
1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110092922

Frequently Asked Questions

What is the IUPAC name of [2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (CID 110260421) is [2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is CCCc1cc(C(=O)N2CCCC2c2cc(N3CCN(C)CC3)cc(C)n2)no1.
What is the InChIKey of [2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The InChIKey is SGRNAKIWJDPEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-4-6-18-15-20(24-29-18)22(28)27-8-5-7-21(27)19-14-17(13-16(2)23-19)26-11-9-25(3)10-12-26/h13-15,21H,4-12H2,1-3H3.
What are the key properties of [2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
[2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone has a molecular weight of 397.52 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 110260421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).