[(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone

C21H29N5O2 — CID 95100992

IUPAC[(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCc1nc2cc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)cnc2nc1CC
InChIInChI=1S/C21H29N5O2/c1-3-17-18(4-2)24-20-19(23-17)12-16(13-22-20)26-7-5-6-15(14-26)21(27)25-8-10-28-11-9-25/h12-13,15H,3-11,14H2,1-2H3/t15-/m1/s1
InChIKeyXJHOSUZZKFTRLT-OAHLLOKOSA-N
MW383.50 g/mol
LogP2.22
Rot. Bonds4

About [(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone

[(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 95100992) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is [(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID95100992
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name[(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCc1nc2cc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)cnc2nc1CC
InChIInChI=1S/C21H29N5O2/c1-3-17-18(4-2)24-20-19(23-17)12-16(13-22-20)26-7-5-6-15(14-26)21(27)25-8-10-28-11-9-25/h12-13,15H,3-11,14H2,1-2H3/t15-/m1/s1
InChIKeyXJHOSUZZKFTRLT-OAHLLOKOSA-N
XLogP2.22
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 53166012
(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 95100994
1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 53166017
1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 71839313
(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 95100941
1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 71839250
[(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 96534194
[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
[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155975861
[(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51983130
1,3-dimethyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 93070846

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 95100992) is [(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone is CCc1nc2cc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)cnc2nc1CC.
What is the InChIKey of [(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is XJHOSUZZKFTRLT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-3-17-18(4-2)24-20-19(23-17)12-16(13-22-20)26-7-5-6-15(14-26)21(27)25-8-10-28-11-9-25/h12-13,15H,3-11,14H2,1-2H3/t15-/m1/s1.
What are the key properties of [(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
[(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 383.50 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 95100992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).