[(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone

C22H27N5O — CID 124994832

IUPAC[(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1cccc(Nc2cncc(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)n2)n1
InChIInChI=1S/C22H27N5O/c1-16-6-5-9-20(24-16)26-21-15-23-14-19(25-21)17-10-12-27(13-11-17)22(28)18-7-3-2-4-8-18/h2-3,5-6,9,14-15,17-18H,4,7-8,10-13H2,1H3,(H,24,25,26)/t18-/m0/s1
InChIKeyQHMUGSBNDNNQDQ-SFHVURJKSA-N
MW377.49 g/mol
LogP3.99
Rot. Bonds4

About [(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone

[(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 124994832) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID124994832
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name[(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1cccc(Nc2cncc(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)n2)n1
InChIInChI=1S/C22H27N5O/c1-16-6-5-9-20(24-16)26-21-15-23-14-19(25-21)17-10-12-27(13-11-17)22(28)18-7-3-2-4-8-18/h2-3,5-6,9,14-15,17-18H,4,7-8,10-13H2,1H3,(H,24,25,26)/t18-/m0/s1
InChIKeyQHMUGSBNDNNQDQ-SFHVURJKSA-N
XLogP3.99
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1,4,6-trimethyl-3-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidine-1-carbonyl]pyridin-2-one
CID 110094221
N-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine
CID 110094133
6-[1-(2-methylpropyl)piperidin-4-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
CID 110094068
2-(dimethylamino)-1-[3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110252918
[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95814602
(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
CID 110094322
[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95821107
[3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110255878
cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
CID 155985119
cyclohex-3-en-1-yl-(4-isoquinolin-3-ylpiperidin-1-yl)methanone
CID 110221173
2-[(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]pyrrolidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860390
cyclopentyl-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 127244684

Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone (CID 124994832) is [(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone is Cc1cccc(Nc2cncc(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)n2)n1.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is QHMUGSBNDNNQDQ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-6-5-9-20(24-16)26-21-15-23-14-19(25-21)17-10-12-27(13-11-17)22(28)18-7-3-2-4-8-18/h2-3,5-6,9,14-15,17-18H,4,7-8,10-13H2,1H3,(H,24,25,26)/t18-/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone?
[(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 377.49 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124994832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).