1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea

C24H27N7O — CID 66558365

IUPAC1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCn1cc(-c2cnc3ccc(NC(=O)NCCCC(C)(C)c4ccccc4)nc3n2)cn1
InChIInChI=1S/C24H27N7O/c1-24(2,18-8-5-4-6-9-18)12-7-13-25-23(32)30-21-11-10-19-22(29-21)28-20(15-26-19)17-14-27-31(3)16-17/h4-6,8-11,14-16H,7,12-13H2,1-3H3,(H2,25,28,29,30,32)
InChIKeyUUTGYXYCCNOGAN-UHFFFAOYSA-N
MW429.53 g/mol
LogP4.30
Rot. Bonds7

About 1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea

1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 66558365) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID66558365
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCn1cc(-c2cnc3ccc(NC(=O)NCCCC(C)(C)c4ccccc4)nc3n2)cn1
InChIInChI=1S/C24H27N7O/c1-24(2,18-8-5-4-6-9-18)12-7-13-25-23(32)30-21-11-10-19-22(29-21)28-20(15-26-19)17-14-27-31(3)16-17/h4-6,8-11,14-16H,7,12-13H2,1-3H3,(H2,25,28,29,30,32)
InChIKeyUUTGYXYCCNOGAN-UHFFFAOYSA-N
XLogP4.30
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea (CID 66558365) is 1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea is Cn1cc(-c2cnc3ccc(NC(=O)NCCCC(C)(C)c4ccccc4)nc3n2)cn1.
What is the InChIKey of 1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is UUTGYXYCCNOGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-24(2,18-8-5-4-6-9-18)12-7-13-25-23(32)30-21-11-10-19-22(29-21)28-20(15-26-19)17-14-27-31(3)16-17/h4-6,8-11,14-16H,7,12-13H2,1-3H3,(H2,25,28,29,30,32).
What are the key properties of 1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 429.53 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-4-phenylpentyl)-3-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 66558365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).