furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone

C27H29N7O3 — CID 90126636

IUPACfuran-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C27H29N7O3/c35-27(24-2-1-14-37-24)34-12-10-33(11-13-34)20-5-3-19(4-6-20)22-16-23-25(30-8-7-29-23)26(32-22)31-18-21-17-28-9-15-36-21/h1-8,14,16,21,28H,9-13,15,17-18H2,(H,31,32)
InChIKeyJUXWQBDIUGJDIL-UHFFFAOYSA-N
MW499.58 g/mol
LogP2.65
Rot. Bonds6

About furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone

furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone (PubChem CID 90126636) has the molecular formula C27H29N7O3 and a molecular weight of 499.58 g/mol. Its IUPAC name is furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone
PubChem CID90126636
Molecular FormulaC27H29N7O3
Molecular Weight499.58 g/mol
Exact Mass499.23
IUPAC Namefuran-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C27H29N7O3/c35-27(24-2-1-14-37-24)34-12-10-33(11-13-34)20-5-3-19(4-6-20)22-16-23-25(30-8-7-29-23)26(32-22)31-18-21-17-28-9-15-36-21/h1-8,14,16,21,28H,9-13,15,17-18H2,(H,31,32)
InChIKeyJUXWQBDIUGJDIL-UHFFFAOYSA-N
XLogP2.65
TPSA108.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one
CID 71113790
2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 78012361
N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 163569241
2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol
CID 78012294
1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone
CID 71113562
2-[1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol;sulfane
CID 159877071
N-(morpholin-2-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride
CID 66555381
N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012349
N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113797
morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone
CID 71113693
1-[(2R)-2-[[[7-[4-(4-acetylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]-2,2-difluoroethanone
CID 90126648
2-fluoro-2-methyl-1-[2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]propan-1-one
CID 78012344

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone (CID 90126636) is furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1.
What is the InChIKey of furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone?
The InChIKey is JUXWQBDIUGJDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O3/c35-27(24-2-1-14-37-24)34-12-10-33(11-13-34)20-5-3-19(4-6-20)22-16-23-25(30-8-7-29-23)26(32-22)31-18-21-17-28-9-15-36-21/h1-8,14,16,21,28H,9-13,15,17-18H2,(H,31,32).
What are the key properties of furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone has a molecular weight of 499.58 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90126636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).