1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea

C24H23N5O3 — CID 57404430

IUPAC1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea
SMILESCN(C(=O)Nc1cnc(-c2ccccc2)cn1)C1CCC2(CC1)OC(=O)c1ccncc12
InChIInChI=1S/C24H23N5O3/c1-29(23(31)28-21-15-26-20(14-27-21)16-5-3-2-4-6-16)17-7-10-24(11-8-17)19-13-25-12-9-18(19)22(30)32-24/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,28,31)
InChIKeyPZHDBZKHTKEPPX-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.01
Rot. Bonds3

About 1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea

1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea (PubChem CID 57404430) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea
PubChem CID57404430
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea
SMILESCN(C(=O)Nc1cnc(-c2ccccc2)cn1)C1CCC2(CC1)OC(=O)c1ccncc12
InChIInChI=1S/C24H23N5O3/c1-29(23(31)28-21-15-26-20(14-27-21)16-5-3-2-4-6-16)17-7-10-24(11-8-17)19-13-25-12-9-18(19)22(30)32-24/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,28,31)
InChIKeyPZHDBZKHTKEPPX-UHFFFAOYSA-N
XLogP4.01
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea?
The IUPAC name of 1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea (CID 57404430) is 1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea.
What is the SMILES notation for 1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea?
The canonical SMILES for 1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea is CN(C(=O)Nc1cnc(-c2ccccc2)cn1)C1CCC2(CC1)OC(=O)c1ccncc12.
What is the InChIKey of 1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea?
The InChIKey is PZHDBZKHTKEPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-29(23(31)28-21-15-26-20(14-27-21)16-5-3-2-4-6-16)17-7-10-24(11-8-17)19-13-25-12-9-18(19)22(30)32-24/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,28,31).
What are the key properties of 1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea?
1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea has a molecular weight of 429.48 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea is sourced from PubChem (CID 57404430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).