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

C25H27N7O3 — CID 144559101

IUPAC4-[[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
SMILESCC[C@H]1COCCN1c1nc(Oc2ccc(C(=O)N(C)C)cc2)nc(-c2cnc3[nH]ccc3c2)n1
InChIInChI=1S/C25H27N7O3/c1-4-19-15-34-12-11-32(19)24-28-22(18-13-17-9-10-26-21(17)27-14-18)29-25(30-24)35-20-7-5-16(6-8-20)23(33)31(2)3/h5-10,13-14,19H,4,11-12,15H2,1-3H3,(H,26,27)/t19-/m0/s1
InChIKeyTVKXNAPEZJWLQI-IBGZPJMESA-N
MW473.54 g/mol
LogP3.52
Rot. Bonds6

About 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

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 (PubChem CID 144559101) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID144559101
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name4-[[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
SMILESCC[C@H]1COCCN1c1nc(Oc2ccc(C(=O)N(C)C)cc2)nc(-c2cnc3[nH]ccc3c2)n1
InChIInChI=1S/C25H27N7O3/c1-4-19-15-34-12-11-32(19)24-28-22(18-13-17-9-10-26-21(17)27-14-18)29-25(30-24)35-20-7-5-16(6-8-20)23(33)31(2)3/h5-10,13-14,19H,4,11-12,15H2,1-3H3,(H,26,27)/t19-/m0/s1
InChIKeyTVKXNAPEZJWLQI-IBGZPJMESA-N
XLogP3.52
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
N,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide
CID 122658952
(3S)-3-methyl-4-[6-(2-methylsulfonylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
CID 25175884
1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine
CID 123312026
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-[[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
5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
CID 53312353
N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 126433758
2-(3-ethylmorpholin-4-yl)-1-(4-methoxyphenyl)ethanone
CID 43797594
methyl 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carboxylate
CID 114047041
6,6-dimethyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57385104
4-(3-ethylmorpholin-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80789305

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@H]1COCCN1c1nc(Oc2ccc(C(=O)N(C)C)cc2)nc(-c2cnc3[nH]ccc3c2)n1.
What is the InChIKey of 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?
The InChIKey is TVKXNAPEZJWLQI-IBGZPJMESA-N. The full InChI is InChI=1S/C25H27N7O3/c1-4-19-15-34-12-11-32(19)24-28-22(18-13-17-9-10-26-21(17)27-14-18)29-25(30-24)35-20-7-5-16(6-8-20)23(33)31(2)3/h5-10,13-14,19H,4,11-12,15H2,1-3H3,(H,26,27)/t19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 473.54 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144559101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).