(4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone

C22H25N7O — CID 95100890

IUPAC(4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(c2cnc3nccnc3c2)C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H25N7O/c30-22(28-12-10-27(11-13-28)20-5-1-2-6-24-20)17-4-3-9-29(16-17)18-14-19-21(26-15-18)25-8-7-23-19/h1-2,5-8,14-15,17H,3-4,9-13,16H2/t17-/m0/s1
InChIKeyMMJKYPQCLWLPOS-KRWDZBQOSA-N
MW403.49 g/mol
LogP1.99
Rot. Bonds3

About (4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone

(4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone (PubChem CID 95100890) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is (4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone
PubChem CID95100890
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name(4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(c2cnc3nccnc3c2)C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H25N7O/c30-22(28-12-10-27(11-13-28)20-5-1-2-6-24-20)17-4-3-9-29(16-17)18-14-19-21(26-15-18)25-8-7-23-19/h1-2,5-8,14-15,17H,3-4,9-13,16H2/t17-/m0/s1
InChIKeyMMJKYPQCLWLPOS-KRWDZBQOSA-N
XLogP1.99
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53165999
[(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 95100960
4-[(3R)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 95115266
[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 90519878
(4-methylsulfonyl-1,4-diazepan-1-yl)-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 97433997
[1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 20920541
N-(2-ethoxyphenyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839394
1-[5-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 20958127
1-pyrido[2,3-b]pyrazin-7-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53165945
N-(2-methylpropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839376
(3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 97416422
[(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 95073364

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone?
The IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone (CID 95100890) is (4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone.
What is the SMILES notation for (4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone?
The canonical SMILES for (4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone is O=C([C@H]1CCCN(c2cnc3nccnc3c2)C1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone?
The InChIKey is MMJKYPQCLWLPOS-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25N7O/c30-22(28-12-10-27(11-13-28)20-5-1-2-6-24-20)17-4-3-9-29(16-17)18-14-19-21(26-15-18)25-8-7-23-19/h1-2,5-8,14-15,17H,3-4,9-13,16H2/t17-/m0/s1.
What are the key properties of (4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone?
(4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone has a molecular weight of 403.49 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 95100890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).