[4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone

C22H26N6O3 — CID 77106365

IUPAC[4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(-c2cnc(N)c(-c3cn(C(C)C)nn3)c2)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C22H26N6O3/c1-14(2)28-13-19(25-26-28)18-10-16(12-24-21(18)23)15-4-5-17(20(11-15)30-3)22(29)27-6-8-31-9-7-27/h4-5,10-14H,6-9H2,1-3H3,(H2,23,24)
InChIKeyWTMSPLKBPPJPHJ-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.65
Rot. Bonds5

About [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone

[4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone (PubChem CID 77106365) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone
PubChem CID77106365
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name[4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(-c2cnc(N)c(-c3cn(C(C)C)nn3)c2)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C22H26N6O3/c1-14(2)28-13-19(25-26-28)18-10-16(12-24-21(18)23)15-4-5-17(20(11-15)30-3)22(29)27-6-8-31-9-7-27/h4-5,10-14H,6-9H2,1-3H3,(H2,23,24)
InChIKeyWTMSPLKBPPJPHJ-UHFFFAOYSA-N
XLogP2.65
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone (CID 77106365) is [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone is COc1cc(-c2cnc(N)c(-c3cn(C(C)C)nn3)c2)ccc1C(=O)N1CCOCC1.
What is the InChIKey of [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone?
The InChIKey is WTMSPLKBPPJPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-14(2)28-13-19(25-26-28)18-10-16(12-24-21(18)23)15-4-5-17(20(11-15)30-3)22(29)27-6-8-31-9-7-27/h4-5,10-14H,6-9H2,1-3H3,(H2,23,24).
What are the key properties of [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone?
[4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone has a molecular weight of 422.49 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-methoxyphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 77106365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).