1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea

C20H22N6O2 — CID 129482090

IUPAC1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCOc1ccc(-c2ccc(C)c(NC(=O)N[C@@H]3CCc4ncnn4C3)c2)cn1
InChIInChI=1S/C20H22N6O2/c1-13-3-4-14(15-5-8-19(28-2)21-10-15)9-17(13)25-20(27)24-16-6-7-18-22-12-23-26(18)11-16/h3-5,8-10,12,16H,6-7,11H2,1-2H3,(H2,24,25,27)/t16-/m1/s1
InChIKeySAWXKPXPKMIALD-MRXNPFEDSA-N
MW378.44 g/mol
LogP2.79
Rot. Bonds4

About 1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea

1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (PubChem CID 129482090) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
PubChem CID129482090
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCOc1ccc(-c2ccc(C)c(NC(=O)N[C@@H]3CCc4ncnn4C3)c2)cn1
InChIInChI=1S/C20H22N6O2/c1-13-3-4-14(15-5-8-19(28-2)21-10-15)9-17(13)25-20(27)24-16-6-7-18-22-12-23-26(18)11-16/h3-5,8-10,12,16H,6-7,11H2,1-2H3,(H2,24,25,27)/t16-/m1/s1
InChIKeySAWXKPXPKMIALD-MRXNPFEDSA-N
XLogP2.79
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The IUPAC name of 1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (CID 129482090) is 1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.
What is the SMILES notation for 1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The canonical SMILES for 1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is COc1ccc(-c2ccc(C)c(NC(=O)N[C@@H]3CCc4ncnn4C3)c2)cn1.
What is the InChIKey of 1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The InChIKey is SAWXKPXPKMIALD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-13-3-4-14(15-5-8-19(28-2)21-10-15)9-17(13)25-20(27)24-16-6-7-18-22-12-23-26(18)11-16/h3-5,8-10,12,16H,6-7,11H2,1-2H3,(H2,24,25,27)/t16-/m1/s1.
What are the key properties of 1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea has a molecular weight of 378.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is sourced from PubChem (CID 129482090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).