N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine

C22H27N7O — CID 163569241

IUPACN-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NCC3CNCCO3)nc(-c3ccc(N4CCNCC4)cc3)cc2n1
InChIInChI=1S/C22H27N7O/c1-3-17(29-10-7-23-8-11-29)4-2-16(1)19-13-20-21(26-6-5-25-20)22(28-19)27-15-18-14-24-9-12-30-18/h1-6,13,18,23-24H,7-12,14-15H2,(H,27,28)
InChIKeyFXVCUNATCDEBAY-UHFFFAOYSA-N
MW405.51 g/mol
LogP1.50
Rot. Bonds5

About N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine

N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 163569241) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID163569241
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC NameN-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NCC3CNCCO3)nc(-c3ccc(N4CCNCC4)cc3)cc2n1
InChIInChI=1S/C22H27N7O/c1-3-17(29-10-7-23-8-11-29)4-2-16(1)19-13-20-21(26-6-5-25-20)22(28-19)27-15-18-14-24-9-12-30-18/h1-6,13,18,23-24H,7-12,14-15H2,(H,27,28)
InChIKeyFXVCUNATCDEBAY-UHFFFAOYSA-N
XLogP1.50
TPSA87.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol
CID 78012294
2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 78012361
2-[1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol;sulfane
CID 159877071
furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone
CID 90126636
N-(morpholin-2-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride
CID 66555381
7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113421
N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012349
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012243
2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile
CID 71113373
N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113797
7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane
CID 157239084

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine (CID 163569241) is N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine is c1cnc2c(NCC3CNCCO3)nc(-c3ccc(N4CCNCC4)cc3)cc2n1.
What is the InChIKey of N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is FXVCUNATCDEBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-3-17(29-10-7-23-8-11-29)4-2-16(1)19-13-20-21(26-6-5-25-20)22(28-19)27-15-18-14-24-9-12-30-18/h1-6,13,18,23-24H,7-12,14-15H2,(H,27,28).
What are the key properties of N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine?
N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 405.51 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 163569241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).