1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea

C21H21N7O — CID 66558948

IUPAC1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESO=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3ccn[nH]3)nc2n1
InChIInChI=1S/C21H21N7O/c29-21(22-12-5-4-8-15-6-2-1-3-7-15)27-19-10-9-17-20(26-19)25-18(14-23-17)16-11-13-24-28-16/h1-3,6-7,9-11,13-14H,4-5,8,12H2,(H,24,28)(H2,22,25,26,27,29)
InChIKeyPROTVEWOFXXQRV-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.56
Rot. Bonds7

About 1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea

1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 66558948) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID66558948
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESO=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3ccn[nH]3)nc2n1
InChIInChI=1S/C21H21N7O/c29-21(22-12-5-4-8-15-6-2-1-3-7-15)27-19-10-9-17-20(26-19)25-18(14-23-17)16-11-13-24-28-16/h1-3,6-7,9-11,13-14H,4-5,8,12H2,(H,24,28)(H2,22,25,26,27,29)
InChIKeyPROTVEWOFXXQRV-UHFFFAOYSA-N
XLogP3.56
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 118328024
1-[3-(3-cyanophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 66558012
1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 66556954
N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide
CID 58881889
4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butylphosphonic acid
CID 16727365
1-[3-[3-(4,4-difluorobutyl)-5-methylcyclohexa-1,5-dien-1-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 162558690
1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164299
1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 58881850
1-(4-phenylbutyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
CID 13011931
1-(3-phenylpropyl)-3-pyrazin-2-ylurea
CID 108893900
1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea
CID 70836165
1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea
CID 58310510

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea (CID 66558948) is 1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea is O=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3ccn[nH]3)nc2n1.
What is the InChIKey of 1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is PROTVEWOFXXQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c29-21(22-12-5-4-8-15-6-2-1-3-7-15)27-19-10-9-17-20(26-19)25-18(14-23-17)16-11-13-24-28-16/h1-3,6-7,9-11,13-14H,4-5,8,12H2,(H,24,28)(H2,22,25,26,27,29).
What are the key properties of 1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 387.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 66558948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).