4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine

C19H27N5O3S — CID 86902815

IUPAC4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
SMILESCc1nn(C)c(C)c1C1CCCN1c1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C19H27N5O3S/c1-14-19(15(2)22(3)21-14)17-5-4-8-24(17)18-7-6-16(13-20-18)28(25,26)23-9-11-27-12-10-23/h6-7,13,17H,4-5,8-12H2,1-3H3
InChIKeyZXEBHJCDMICGKV-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.79
Rot. Bonds4

About 4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 86902815) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID86902815
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
SMILESCc1nn(C)c(C)c1C1CCCN1c1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C19H27N5O3S/c1-14-19(15(2)22(3)21-14)17-5-4-8-24(17)18-7-6-16(13-20-18)28(25,26)23-9-11-27-12-10-23/h6-7,13,17H,4-5,8-12H2,1-3H3
InChIKeyZXEBHJCDMICGKV-UHFFFAOYSA-N
XLogP1.79
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine with MolForge

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Related Compounds

1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine
CID 86902816
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine
CID 133281033
4-[[6-(2,3-dimethylpyrrolidin-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133357732
1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 26441291
1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 24668697
(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
CID 7042964
4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 133454493
5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 75420221
4-methyl-6-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 95764333
2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 100759697
4-morpholin-4-ylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 8894997
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine (CID 86902815) is 4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine is Cc1nn(C)c(C)c1C1CCCN1c1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of 4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is ZXEBHJCDMICGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-14-19(15(2)22(3)21-14)17-5-4-8-24(17)18-7-6-16(13-20-18)28(25,26)23-9-11-27-12-10-23/h6-7,13,17H,4-5,8-12H2,1-3H3.
What are the key properties of 4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 405.52 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 86902815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).