N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene

C23H19F3N4O3 — CID 144569859

IUPACN-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene
SMILESFC(F)(F)Oc1ccccc1.O=C(NC1CCOc2cccnc21)c1cc2cccnc2[nH]1
InChIInChI=1S/C16H14N4O2.C7H5F3O/c21-16(12-9-10-3-1-7-18-15(10)19-12)20-11-5-8-22-13-4-2-6-17-14(11)13;8-7(9,10)11-6-4-2-1-3-5-6/h1-4,6-7,9,11H,5,8H2,(H,18,19)(H,20,21);1-5H
InChIKeyPQDYPEDGAWKKSM-UHFFFAOYSA-N
MW456.42 g/mol
LogP4.80
Rot. Bonds3

About N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene

N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene (PubChem CID 144569859) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene
PubChem CID144569859
Molecular FormulaC23H19F3N4O3
Molecular Weight456.42 g/mol
Exact Mass456.14
IUPAC NameN-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene
SMILESFC(F)(F)Oc1ccccc1.O=C(NC1CCOc2cccnc21)c1cc2cccnc2[nH]1
InChIInChI=1S/C16H14N4O2.C7H5F3O/c21-16(12-9-10-3-1-7-18-15(10)19-12)20-11-5-8-22-13-4-2-6-17-14(11)13;8-7(9,10)11-6-4-2-1-3-5-6/h1-4,6-7,9,11H,5,8H2,(H,18,19)(H,20,21);1-5H
InChIKeyPQDYPEDGAWKKSM-UHFFFAOYSA-N
XLogP4.80
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N~1~-(4-Fluorophenyl)-N'~1~-(4-((2-((2-(morpholin-4-yl)ethyl)carbamoyl)-1H-pyrrolo(2,3-b)pyridin-4-yl)oxy)phenyl)cyclopropane-1,1-dicarboxamide
CID 24956525
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-6-phenylpyridine-2-carboxamide
CID 21081778
2-[(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)carbamoyl]-1-oxido-6-phenylpyridin-1-ium
CID 24901689
2-[(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)carbamoyl]-6-(4-fluorophenyl)-1-oxidopyridin-1-ium
CID 24901690
1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone
CID 46207938
1H-indol-2-yl-[4-(3-isopropoxy-2-pyridyl)piperazin-1-yl]methanone
CID 468307
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]-methylene]cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 89463752
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 90298273
[3-(difluoromethoxy)-4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 118286391
5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine
CID 71581423
[4-(3-ethoxy-2-pyridyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 468309
[4-[(3-ethoxy-2-pyridyl)-methyl-amino]-1-piperidyl]-(1H-indol-2-yl)methanone
CID 468316

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene?
The IUPAC name of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene (CID 144569859) is N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene?
The canonical SMILES for N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene is FC(F)(F)Oc1ccccc1.O=C(NC1CCOc2cccnc21)c1cc2cccnc2[nH]1.
What is the InChIKey of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene?
The InChIKey is PQDYPEDGAWKKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2.C7H5F3O/c21-16(12-9-10-3-1-7-18-15(10)19-12)20-11-5-8-22-13-4-2-6-17-14(11)13;8-7(9,10)11-6-4-2-1-3-5-6/h1-4,6-7,9,11H,5,8H2,(H,18,19)(H,20,21);1-5H.
What are the key properties of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene?
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene has a molecular weight of 456.42 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;trifluoromethoxybenzene is sourced from PubChem (CID 144569859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).