1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea

C24H30N6O2 — CID 70836168

IUPAC1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea
SMILESCC(CCCc1ccccc1)NC(=O)Nc1ccc2ncc(N3CCOC[C@@H]3C)nc2n1
InChIInChI=1S/C24H30N6O2/c1-17(7-6-10-19-8-4-3-5-9-19)26-24(31)28-21-12-11-20-23(27-21)29-22(15-25-20)30-13-14-32-16-18(30)2/h3-5,8-9,11-12,15,17-18H,6-7,10,13-14,16H2,1-2H3,(H2,26,27,28,29,31)/t17?,18-/m0/s1
InChIKeyPEWVKMBMUZUUOH-ZVAWYAOSSA-N
MW434.54 g/mol
LogP3.78
Rot. Bonds7

About 1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea

1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea (PubChem CID 70836168) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea.

Molecular Properties

Compound Name1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea
PubChem CID70836168
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea
SMILESCC(CCCc1ccccc1)NC(=O)Nc1ccc2ncc(N3CCOC[C@@H]3C)nc2n1
InChIInChI=1S/C24H30N6O2/c1-17(7-6-10-19-8-4-3-5-9-19)26-24(31)28-21-12-11-20-23(27-21)29-22(15-25-20)30-13-14-32-16-18(30)2/h3-5,8-9,11-12,15,17-18H,6-7,10,13-14,16H2,1-2H3,(H2,26,27,28,29,31)/t17?,18-/m0/s1
InChIKeyPEWVKMBMUZUUOH-ZVAWYAOSSA-N
XLogP3.78
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea?
The IUPAC name of 1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea (CID 70836168) is 1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea.
What is the SMILES notation for 1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea?
The canonical SMILES for 1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea is CC(CCCc1ccccc1)NC(=O)Nc1ccc2ncc(N3CCOC[C@@H]3C)nc2n1.
What is the InChIKey of 1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea?
The InChIKey is PEWVKMBMUZUUOH-ZVAWYAOSSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-17(7-6-10-19-8-4-3-5-9-19)26-24(31)28-21-12-11-20-23(27-21)29-22(15-25-20)30-13-14-32-16-18(30)2/h3-5,8-9,11-12,15,17-18H,6-7,10,13-14,16H2,1-2H3,(H2,26,27,28,29,31)/t17?,18-/m0/s1.
What are the key properties of 1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea?
1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea has a molecular weight of 434.54 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea is sourced from PubChem (CID 70836168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).