1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea

C25H26N6O2 — CID 66558015

IUPAC1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
SMILESCOc1ncccc1-c1cnc2ccc(NC(=O)N[C@H](C)CCCc3ccccc3)nc2n1
InChIInChI=1S/C25H26N6O2/c1-17(8-6-11-18-9-4-3-5-10-18)28-25(32)31-22-14-13-20-23(30-22)29-21(16-27-20)19-12-7-15-26-24(19)33-2/h3-5,7,9-10,12-17H,6,8,11H2,1-2H3,(H2,28,29,30,31,32)/t17-/m1/s1
InChIKeyZOQQEQQVKRGAQP-QGZVFWFLSA-N
MW442.52 g/mol
LogP4.63
Rot. Bonds8

About 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea

1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea (PubChem CID 66558015) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea.

Molecular Properties

Compound Name1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
PubChem CID66558015
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
SMILESCOc1ncccc1-c1cnc2ccc(NC(=O)N[C@H](C)CCCc3ccccc3)nc2n1
InChIInChI=1S/C25H26N6O2/c1-17(8-6-11-18-9-4-3-5-10-18)28-25(32)31-22-14-13-20-23(30-22)29-21(16-27-20)19-12-7-15-26-24(19)33-2/h3-5,7,9-10,12-17H,6,8,11H2,1-2H3,(H2,28,29,30,31,32)/t17-/m1/s1
InChIKeyZOQQEQQVKRGAQP-QGZVFWFLSA-N
XLogP4.63
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
The IUPAC name of 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea (CID 66558015) is 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea.
What is the SMILES notation for 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
The canonical SMILES for 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea is COc1ncccc1-c1cnc2ccc(NC(=O)N[C@H](C)CCCc3ccccc3)nc2n1.
What is the InChIKey of 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
The InChIKey is ZOQQEQQVKRGAQP-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-17(8-6-11-18-9-4-3-5-10-18)28-25(32)31-22-14-13-20-23(30-22)29-21(16-27-20)19-12-7-15-26-24(19)33-2/h3-5,7,9-10,12-17H,6,8,11H2,1-2H3,(H2,28,29,30,31,32)/t17-/m1/s1.
What are the key properties of 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea has a molecular weight of 442.52 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea is sourced from PubChem (CID 66558015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).