morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone

C24H28N6O2 — CID 71113693

IUPACmorpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1)N1CCOCC1
InChIInChI=1S/C24H28N6O2/c31-24(30-10-12-32-13-11-30)19-5-3-18(4-6-19)20-14-21-22(27-9-8-26-21)23(29-20)28-16-17-2-1-7-25-15-17/h3-6,8-9,14,17,25H,1-2,7,10-13,15-16H2,(H,28,29)
InChIKeyUHGAHDNFNWLEHZ-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.58
Rot. Bonds5

About morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone

morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone (PubChem CID 71113693) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone
PubChem CID71113693
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Namemorpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1)N1CCOCC1
InChIInChI=1S/C24H28N6O2/c31-24(30-10-12-32-13-11-30)19-5-3-18(4-6-19)20-14-21-22(27-9-8-26-21)23(29-20)28-16-17-2-1-7-25-15-17/h3-6,8-9,14,17,25H,1-2,7,10-13,15-16H2,(H,28,29)
InChIKeyUHGAHDNFNWLEHZ-UHFFFAOYSA-N
XLogP2.58
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide
CID 71113684
7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113342
CID 161049361
CID 161049361
7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113807
7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113328
7-[6-(methylamino)-3-pyridinyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113685
7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113679
7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113438
furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone
CID 90126636
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
7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012250
7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113761

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone (CID 71113693) is morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone is O=C(c1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone?
The InChIKey is UHGAHDNFNWLEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c31-24(30-10-12-32-13-11-30)19-5-3-18(4-6-19)20-14-21-22(27-9-8-26-21)23(29-20)28-16-17-2-1-7-25-15-17/h3-6,8-9,14,17,25H,1-2,7,10-13,15-16H2,(H,28,29).
What are the key properties of morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone?
morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone has a molecular weight of 432.53 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone is sourced from PubChem (CID 71113693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).