1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone

C21H30N6O — CID 110260425

IUPAC1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C)nc(C3CCCN3Cc3cnn(C)c3)c2)CC1
InChIInChI=1S/C21H30N6O/c1-16-11-19(26-9-7-25(8-10-26)17(2)28)12-20(23-16)21-5-4-6-27(21)15-18-13-22-24(3)14-18/h11-14,21H,4-10,15H2,1-3H3
InChIKeyOSNZKNDDWXTVKY-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.13
Rot. Bonds4

About 1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone

1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 110260425) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
PubChem CID110260425
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C)nc(C3CCCN3Cc3cnn(C)c3)c2)CC1
InChIInChI=1S/C21H30N6O/c1-16-11-19(26-9-7-25(8-10-26)17(2)28)12-20(23-16)21-5-4-6-27(21)15-18-13-22-24(3)14-18/h11-14,21H,4-10,15H2,1-3H3
InChIKeyOSNZKNDDWXTVKY-UHFFFAOYSA-N
XLogP2.13
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone (CID 110260425) is 1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C)nc(C3CCCN3Cc3cnn(C)c3)c2)CC1.
What is the InChIKey of 1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is OSNZKNDDWXTVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-16-11-19(26-9-7-25(8-10-26)17(2)28)12-20(23-16)21-5-4-6-27(21)15-18-13-22-24(3)14-18/h11-14,21H,4-10,15H2,1-3H3.
What are the key properties of 1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 382.51 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110260425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).