1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea

C26H27N5O3 — CID 66558186

IUPAC1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
SMILESCOc1ccc(-c2cnc3ccc(NC(=O)N[C@H](C)CCCc4ccccc4)nc3n2)cc1O
InChIInChI=1S/C26H27N5O3/c1-17(7-6-10-18-8-4-3-5-9-18)28-26(33)31-24-14-12-20-25(30-24)29-21(16-27-20)19-11-13-23(34-2)22(32)15-19/h3-5,8-9,11-17,32H,6-7,10H2,1-2H3,(H2,28,29,30,31,33)/t17-/m1/s1
InChIKeyWAZXBMIODOUKBJ-QGZVFWFLSA-N
MW457.53 g/mol
LogP4.94
Rot. Bonds8

About 1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea

1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea (PubChem CID 66558186) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea.

Molecular Properties

Compound Name1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
PubChem CID66558186
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
SMILESCOc1ccc(-c2cnc3ccc(NC(=O)N[C@H](C)CCCc4ccccc4)nc3n2)cc1O
InChIInChI=1S/C26H27N5O3/c1-17(7-6-10-18-8-4-3-5-9-18)28-26(33)31-24-14-12-20-25(30-24)29-21(16-27-20)19-11-13-23(34-2)22(32)15-19/h3-5,8-9,11-17,32H,6-7,10H2,1-2H3,(H2,28,29,30,31,33)/t17-/m1/s1
InChIKeyWAZXBMIODOUKBJ-QGZVFWFLSA-N
XLogP4.94
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N~2~-[7-(3,4-Dimethoxyphenyl)quinoxalin-2-Yl]-N-Methylglycinamide
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N-{3-[(1S)-1-{[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino}ethyl]phenyl}pyridine-3-carboxamide
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4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
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CID 1875094
N-{3-[(1R)-1-{[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino}ethyl]phenyl}pyridine-3-carboxamide
CID 135430734
4-(2,4-Diaminopteridin-6-yl)benzene-1,2-diol
CID 135750190
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6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 162646571
Cambridge id 7011428
CID 2923415
2-Methoxy-4-(3-phenylimino-1,7-dihydroimidazo[1,2-a]pyrazin-2-ylidene)-1-cyclohexa-2,5-dienone
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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
The IUPAC name of 1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea (CID 66558186) is 1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea.
What is the SMILES notation for 1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
The canonical SMILES for 1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea is COc1ccc(-c2cnc3ccc(NC(=O)N[C@H](C)CCCc4ccccc4)nc3n2)cc1O.
What is the InChIKey of 1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
The InChIKey is WAZXBMIODOUKBJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-17(7-6-10-18-8-4-3-5-9-18)28-26(33)31-24-14-12-20-25(30-24)29-21(16-27-20)19-11-13-23(34-2)22(32)15-19/h3-5,8-9,11-17,32H,6-7,10H2,1-2H3,(H2,28,29,30,31,33)/t17-/m1/s1.
What are the key properties of 1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea has a molecular weight of 457.53 g/mol, XLogP of 4.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea is sourced from PubChem (CID 66558186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).