4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine

C23H26N6O — CID 71113776

IUPAC4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine
SMILESc1cnc2c(N3CCC4CNCC43)nc(-c3ccc(N4CCOCC4)cc3)cc2n1
InChIInChI=1S/C23H26N6O/c1-3-18(28-9-11-30-12-10-28)4-2-16(1)19-13-20-22(26-7-6-25-20)23(27-19)29-8-5-17-14-24-15-21(17)29/h1-4,6-7,13,17,21,24H,5,8-12,14-15H2
InChIKeyUTPRIIBVPOBHDK-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.33
Rot. Bonds3

About 4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine

4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine (PubChem CID 71113776) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine
PubChem CID71113776
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine
SMILESc1cnc2c(N3CCC4CNCC43)nc(-c3ccc(N4CCOCC4)cc3)cc2n1
InChIInChI=1S/C23H26N6O/c1-3-18(28-9-11-30-12-10-28)4-2-16(1)19-13-20-22(26-7-6-25-20)23(27-19)29-8-5-17-14-24-15-21(17)29/h1-4,6-7,13,17,21,24H,5,8-12,14-15H2
InChIKeyUTPRIIBVPOBHDK-UHFFFAOYSA-N
XLogP2.33
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine with MolForge

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Related Compounds

(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid
CID 71113836
N-[(3-methylpiperidin-4-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 123975040
(4S)-4-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one;sulfane
CID 160729539
3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol
CID 71113456
N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 163569241
N-methyl-N-[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]morpholin-2-amine
CID 67187234
4-[4-(1,6-naphthyridin-7-yl)phenyl]morpholine
CID 91552475
5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 137125492
(2S)-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-propan-2-ylsulfonylmorpholine
CID 75203276
7-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-[(3R)-oxan-3-yl]oxypyrido[3,4-b]pyrazine
CID 118633243
4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane
CID 143936489
N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide
CID 140851094

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine (CID 71113776) is 4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine is c1cnc2c(N3CCC4CNCC43)nc(-c3ccc(N4CCOCC4)cc3)cc2n1.
What is the InChIKey of 4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine?
The InChIKey is UTPRIIBVPOBHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-3-18(28-9-11-30-12-10-28)4-2-16(1)19-13-20-22(26-7-6-25-20)23(27-19)29-8-5-17-14-24-15-21(17)29/h1-4,6-7,13,17,21,24H,5,8-12,14-15H2.
What are the key properties of 4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine?
4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine has a molecular weight of 402.50 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine is sourced from PubChem (CID 71113776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).