1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine

C22H34N6 — CID 92619631

IUPAC1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
SMILESCc1cc(N2CCN(Cc3cn[nH]c3C(C)(C)C)CC2)cc([C@H]2CCCN2)n1
InChIInChI=1S/C22H34N6/c1-16-12-18(13-20(25-16)19-6-5-7-23-19)28-10-8-27(9-11-28)15-17-14-24-26-21(17)22(2,3)4/h12-14,19,23H,5-11,15H2,1-4H3,(H,24,26)/t19-/m1/s1
InChIKeyTULXPBHUEDAKNK-LJQANCHMSA-N
MW382.56 g/mol
LogP3.16
Rot. Bonds4

About 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine

1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine (PubChem CID 92619631) has the molecular formula C22H34N6 and a molecular weight of 382.56 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
PubChem CID92619631
Molecular FormulaC22H34N6
Molecular Weight382.56 g/mol
Exact Mass382.28
IUPAC Name1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
SMILESCc1cc(N2CCN(Cc3cn[nH]c3C(C)(C)C)CC2)cc([C@H]2CCCN2)n1
InChIInChI=1S/C22H34N6/c1-16-12-18(13-20(25-16)19-6-5-7-23-19)28-10-8-27(9-11-28)15-17-14-24-26-21(17)22(2,3)4/h12-14,19,23H,5-11,15H2,1-4H3,(H,24,26)/t19-/m1/s1
InChIKeyTULXPBHUEDAKNK-LJQANCHMSA-N
XLogP3.16
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619861
N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine
CID 110260485
6-[[4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methyl]quinoline
CID 92619694
1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 110260458
N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide
CID 92619675
1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619879
(2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone
CID 92619877
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86791637
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782222
2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 92553385
6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-dihydroisoindole
CID 170011367
4-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 83858445

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine?
The IUPAC name of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine (CID 92619631) is 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine.
What is the SMILES notation for 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine?
The canonical SMILES for 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine is Cc1cc(N2CCN(Cc3cn[nH]c3C(C)(C)C)CC2)cc([C@H]2CCCN2)n1.
What is the InChIKey of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine?
The InChIKey is TULXPBHUEDAKNK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H34N6/c1-16-12-18(13-20(25-16)19-6-5-7-23-19)28-10-8-27(9-11-28)15-17-14-24-26-21(17)22(2,3)4/h12-14,19,23H,5-11,15H2,1-4H3,(H,24,26)/t19-/m1/s1.
What are the key properties of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine?
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine has a molecular weight of 382.56 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine is sourced from PubChem (CID 92619631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).