N-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine

C23H27N5O2 — CID 71113445

IUPACN-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NC[C@@H]3CNCCO3)nc(-c3ccc(C4CCOCC4)cc3)cc2n1
InChIInChI=1S/C23H27N5O2/c1-3-18(4-2-16(1)17-5-10-29-11-6-17)20-13-21-22(26-8-7-25-21)23(28-20)27-15-19-14-24-9-12-30-19/h1-4,7-8,13,17,19,24H,5-6,9-12,14-15H2,(H,27,28)/t19-/m0/s1
InChIKeyNZIYWLJVQWAPEO-IBGZPJMESA-N
MW405.50 g/mol
LogP2.99
Rot. Bonds5

About N-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine

N-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113445) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113445
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NC[C@@H]3CNCCO3)nc(-c3ccc(C4CCOCC4)cc3)cc2n1
InChIInChI=1S/C23H27N5O2/c1-3-18(4-2-16(1)17-5-10-29-11-6-17)20-13-21-22(26-8-7-25-21)23(28-20)27-15-19-14-24-9-12-30-19/h1-4,7-8,13,17,19,24H,5-6,9-12,14-15H2,(H,27,28)/t19-/m0/s1
InChIKeyNZIYWLJVQWAPEO-IBGZPJMESA-N
XLogP2.99
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine with MolForge

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Related Compounds

Sovleplenib
CID 71113742
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CID 53378053
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
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2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
4-(1-Piperazin-1-yl[2,6]naphthyridin-3-yl)pyridin-2-yl](tetrahydropyran-4-yl)amine
CID 46899901
{4-[1-(4-Isobutylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}(tetrahydropyran-4-yl)amine
CID 46899902
Pyrido[4,3-d]pyrimidine deriv. 4r
CID 5328328
4-N-(3-methylphenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328378
4-N-(3-methylphenyl)-6-N-[3-(morpholin-4-yl)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine (CID 71113445) is N-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine is c1cnc2c(NC[C@@H]3CNCCO3)nc(-c3ccc(C4CCOCC4)cc3)cc2n1.
What is the InChIKey of N-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is NZIYWLJVQWAPEO-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27N5O2/c1-3-18(4-2-16(1)17-5-10-29-11-6-17)20-13-21-22(26-8-7-25-21)23(28-20)27-15-19-14-24-9-12-30-19/h1-4,7-8,13,17,19,24H,5-6,9-12,14-15H2,(H,27,28)/t19-/m0/s1.
What are the key properties of N-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine?
N-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 405.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-morpholin-2-yl]methyl]-7-[4-(oxan-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).