[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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Related Compounds

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CID 53312150
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
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4-[7-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2-phenylmethoxybenzamide
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[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-methoxyphenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 58073031
3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)-7-(4-methoxypyridin-3-yl)-4H-chromen-4-one
CID 44414455
3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)-7-(4-(trifluoromethyl)pyridin-3-yl)-4H-chromen-4-one
CID 44414481
4-[3-Amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]benzamide
CID 57386289
4-[7-(1-Methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridin-3-yl]-2-phenylmethoxybenzamide
CID 137634280
4-(5-Morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxybenzamide
CID 155531160
8-(6-Amino-3-pyridinyl)-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 164621877
N-[(1S)-1-pyridin-4-ylethyl]-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
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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).