4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide

C22H24FN7O3 — CID 72949573

IUPAC4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
SMILESC[C@@H]1COCCN1c1nc(Oc2ccc(C(=O)N(C)C)cc2F)nc(-c2ccc(N)nc2)n1
InChIInChI=1S/C22H24FN7O3/c1-13-12-32-9-8-30(13)21-26-19(15-5-7-18(24)25-11-15)27-22(28-21)33-17-6-4-14(10-16(17)23)20(31)29(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,24,25)/t13-/m1/s1
InChIKeyPOAZEDQQRWSVGZ-CYBMUJFWSA-N
MW453.48 g/mol
LogP2.37
Rot. Bonds5

About 4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide

4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide (PubChem CID 72949573) has the molecular formula C22H24FN7O3 and a molecular weight of 453.48 g/mol. Its IUPAC name is 4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
PubChem CID72949573
Molecular FormulaC22H24FN7O3
Molecular Weight453.48 g/mol
Exact Mass453.19
IUPAC Name4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
SMILESC[C@@H]1COCCN1c1nc(Oc2ccc(C(=O)N(C)C)cc2F)nc(-c2ccc(N)nc2)n1
InChIInChI=1S/C22H24FN7O3/c1-13-12-32-9-8-30(13)21-26-19(15-5-7-18(24)25-11-15)27-22(28-21)33-17-6-4-14(10-16(17)23)20(31)29(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,24,25)/t13-/m1/s1
InChIKeyPOAZEDQQRWSVGZ-CYBMUJFWSA-N
XLogP2.37
TPSA119.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
CID 72948845
4-[[4-[(2S)-2,5-dimethylmorpholin-4-yl]-6-(1H-indazol-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
CID 72948665
4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane
CID 144559093
4-[[4-[(3S)-3-ethylmorpholin-4-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
CID 144559101
4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334435
4-[[4-(2-amino-1,3-thiazol-5-yl)-6-(2,5-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
CID 72950935
4-(difluoromethyl)-5-[4-[(3S)-3-methylmorpholin-4-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 139520998
5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
CID 121334408
4-[[4-(4-amino-3-methanimidoylphenyl)-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide;molecular hydrogen
CID 144559135
6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane
CID 145231642
4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide
CID 118223562
1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea
CID 89463486

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide (CID 72949573) is 4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide is C[C@@H]1COCCN1c1nc(Oc2ccc(C(=O)N(C)C)cc2F)nc(-c2ccc(N)nc2)n1.
What is the InChIKey of 4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide?
The InChIKey is POAZEDQQRWSVGZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H24FN7O3/c1-13-12-32-9-8-30(13)21-26-19(15-5-7-18(24)25-11-15)27-22(28-21)33-17-6-4-14(10-16(17)23)20(31)29(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,24,25)/t13-/m1/s1.
What are the key properties of 4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide?
4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide has a molecular weight of 453.48 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 72949573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).