1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea

C23H23N5O2 — CID 146347004

IUPAC1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cncc(-c3ccc(C4=CCOCC4)c(C)c3)n2)cn1
InChIInChI=1S/C23H23N5O2/c1-15-11-18(4-6-20(15)17-7-9-30-10-8-17)21-13-24-14-22(27-21)28-23(29)26-19-5-3-16(2)25-12-19/h3-7,11-14H,8-10H2,1-2H3,(H2,26,27,28,29)
InChIKeyCJTCPBREAGTSGV-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.60
Rot. Bonds4

About 1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea

1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 146347004) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
PubChem CID146347004
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cncc(-c3ccc(C4=CCOCC4)c(C)c3)n2)cn1
InChIInChI=1S/C23H23N5O2/c1-15-11-18(4-6-20(15)17-7-9-30-10-8-17)21-13-24-14-22(27-21)28-23(29)26-19-5-3-16(2)25-12-19/h3-7,11-14H,8-10H2,1-2H3,(H2,26,27,28,29)
InChIKeyCJTCPBREAGTSGV-UHFFFAOYSA-N
XLogP4.60
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea (CID 146347004) is 1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea is Cc1ccc(NC(=O)Nc2cncc(-c3ccc(C4=CCOCC4)c(C)c3)n2)cn1.
What is the InChIKey of 1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is CJTCPBREAGTSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15-11-18(4-6-20(15)17-7-9-30-10-8-17)21-13-24-14-22(27-21)28-23(29)26-19-5-3-16(2)25-12-19/h3-7,11-14H,8-10H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 401.47 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 146347004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).