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

C27H29N5O3 — CID 66558277

IUPAC1-[3-[4-(hydroxymethyl)-2-methoxyphenyl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
SMILESCOc1cc(CO)ccc1-c1cnc2ccc(NC(=O)N[C@H](C)CCCc3ccccc3)nc2n1
InChIInChI=1S/C27H29N5O3/c1-18(7-6-10-19-8-4-3-5-9-19)29-27(34)32-25-14-13-22-26(31-25)30-23(16-28-22)21-12-11-20(17-33)15-24(21)35-2/h3-5,8-9,11-16,18,33H,6-7,10,17H2,1-2H3,(H2,29,30,31,32,34)/t18-/m1/s1
InChIKeyWOXOUQHZPMBXSJ-GOSISDBHSA-N
MW471.56 g/mol
LogP4.73
Rot. Bonds9

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

1-[3-[4-(hydroxymethyl)-2-methoxyphenyl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea (PubChem CID 66558277) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-[3-[4-(hydroxymethyl)-2-methoxyphenyl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea.

Molecular Properties

Compound Name1-[3-[4-(hydroxymethyl)-2-methoxyphenyl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
PubChem CID66558277
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name1-[3-[4-(hydroxymethyl)-2-methoxyphenyl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
SMILESCOc1cc(CO)ccc1-c1cnc2ccc(NC(=O)N[C@H](C)CCCc3ccccc3)nc2n1
InChIInChI=1S/C27H29N5O3/c1-18(7-6-10-19-8-4-3-5-9-19)29-27(34)32-25-14-13-22-26(31-25)30-23(16-28-22)21-12-11-20(17-33)15-24(21)35-2/h3-5,8-9,11-16,18,33H,6-7,10,17H2,1-2H3,(H2,29,30,31,32,34)/t18-/m1/s1
InChIKeyWOXOUQHZPMBXSJ-GOSISDBHSA-N
XLogP4.73
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 444617
CID 444617
CID 479413
CID 479413
CID 53239374
CID 53239374
CID 71449506
CID 71449506
CID 2895355
CID 2895355
CID 66558095
CID 66558095
CID 70813608
CID 70813608
CID 136266136
CID 136266136
CID 3234053
CID 3234053
CID 3234799
CID 3234799
CID 3509393
CID 3509393
CID 4883148
CID 4883148

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(hydroxymethyl)-2-methoxyphenyl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
The IUPAC name of 1-[3-[4-(hydroxymethyl)-2-methoxyphenyl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea (CID 66558277) is 1-[3-[4-(hydroxymethyl)-2-methoxyphenyl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea.
What is the SMILES notation for 1-[3-[4-(hydroxymethyl)-2-methoxyphenyl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
The canonical SMILES for 1-[3-[4-(hydroxymethyl)-2-methoxyphenyl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea is COc1cc(CO)ccc1-c1cnc2ccc(NC(=O)N[C@H](C)CCCc3ccccc3)nc2n1.
What is the InChIKey of 1-[3-[4-(hydroxymethyl)-2-methoxyphenyl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
The InChIKey is WOXOUQHZPMBXSJ-GOSISDBHSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-18(7-6-10-19-8-4-3-5-9-19)29-27(34)32-25-14-13-22-26(31-25)30-23(16-28-22)21-12-11-20(17-33)15-24(21)35-2/h3-5,8-9,11-16,18,33H,6-7,10,17H2,1-2H3,(H2,29,30,31,32,34)/t18-/m1/s1.
What are the key properties of 1-[3-[4-(hydroxymethyl)-2-methoxyphenyl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?
1-[3-[4-(hydroxymethyl)-2-methoxyphenyl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea has a molecular weight of 471.56 g/mol, XLogP of 4.73, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(hydroxymethyl)-2-methoxyphenyl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea is sourced from PubChem (CID 66558277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).