1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea

C28H34N8O2 — CID 66559198

IUPAC1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
SMILESC[C@H](CCCc1ccccc1)NC(=O)Nc1ccc2ncc(-c3cnn(CCN4CCOCC4)c3)nc2n1
InChIInChI=1S/C28H34N8O2/c1-21(6-5-9-22-7-3-2-4-8-22)31-28(37)34-26-11-10-24-27(33-26)32-25(19-29-24)23-18-30-36(20-23)13-12-35-14-16-38-17-15-35/h2-4,7-8,10-11,18-21H,5-6,9,12-17H2,1H3,(H2,31,32,33,34,37)/t21-/m1/s1
InChIKeyIURZCUCAJQJUQB-OAQYLSRUSA-N
MW514.63 g/mol
LogP3.75
Rot. Bonds10

About 1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea

1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea (PubChem CID 66559198) has the molecular formula C28H34N8O2 and a molecular weight of 514.63 g/mol. Its IUPAC name is 1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea.

Molecular Properties

Compound Name1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
PubChem CID66559198
Molecular FormulaC28H34N8O2
Molecular Weight514.63 g/mol
Exact Mass514.28
IUPAC Name1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
SMILESC[C@H](CCCc1ccccc1)NC(=O)Nc1ccc2ncc(-c3cnn(CCN4CCOCC4)c3)nc2n1
InChIInChI=1S/C28H34N8O2/c1-21(6-5-9-22-7-3-2-4-8-22)31-28(37)34-26-11-10-24-27(33-26)32-25(19-29-24)23-18-30-36(20-23)13-12-35-14-16-38-17-15-35/h2-4,7-8,10-11,18-21H,5-6,9,12-17H2,1H3,(H2,31,32,33,34,37)/t21-/m1/s1
InChIKeyIURZCUCAJQJUQB-OAQYLSRUSA-N
XLogP3.75
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
The IUPAC name of 1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea (CID 66559198) is 1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea.
What is the SMILES notation for 1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
The canonical SMILES for 1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea is C[C@H](CCCc1ccccc1)NC(=O)Nc1ccc2ncc(-c3cnn(CCN4CCOCC4)c3)nc2n1.
What is the InChIKey of 1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
The InChIKey is IURZCUCAJQJUQB-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H34N8O2/c1-21(6-5-9-22-7-3-2-4-8-22)31-28(37)34-26-11-10-24-27(33-26)32-25(19-29-24)23-18-30-36(20-23)13-12-35-14-16-38-17-15-35/h2-4,7-8,10-11,18-21H,5-6,9,12-17H2,1H3,(H2,31,32,33,34,37)/t21-/m1/s1.
What are the key properties of 1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea has a molecular weight of 514.63 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea is sourced from PubChem (CID 66559198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).