(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone

C23H18FN3O2 — CID 155366939

IUPAC(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone
SMILESNc1ccnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3C3CC3)c12
InChIInChI=1S/C23H18FN3O2/c24-18-3-1-2-4-20(18)29-14-7-8-15(16(11-14)13-5-6-13)22(28)17-12-27-23-21(17)19(25)9-10-26-23/h1-4,7-13H,5-6H2,(H3,25,26,27)
InChIKeyQHGPIXHPUYXOSW-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.18
Rot. Bonds5

About (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone

(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone (PubChem CID 155366939) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone
PubChem CID155366939
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone
SMILESNc1ccnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3C3CC3)c12
InChIInChI=1S/C23H18FN3O2/c24-18-3-1-2-4-20(18)29-14-7-8-15(16(11-14)13-5-6-13)22(28)17-12-27-23-21(17)19(25)9-10-26-23/h1-4,7-13H,5-6H2,(H3,25,26,27)
InChIKeyQHGPIXHPUYXOSW-UHFFFAOYSA-N
XLogP5.18
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone with MolForge

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Related Compounds

4-fluoro-2-[(2-{[2-methoxy-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218598
4-Fluoro-2-((2-((2-methoxy-4-(1-propylpiperidin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218600
4-fluoro-2-[(2-{[2-methoxy-4-(1-propylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218601
2-{[2-({5-[3-(dimethylamino)propyl]-2-methoxyphenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide
CID 25218568
2-{[2-({5-[3-(dimethylamino)propyl]-2-methoxy-4-methylphenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide
CID 25218569
4-fluoro-2-[(2-{[2-(propan-2-yloxy)-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218599
4-[[(3S,4R)-3-fluoro-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 162650738
N-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 10154537
N-[3-fluoro-4-[(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-6-methoxy-1,2-dimethyl-4-oxoquinoline-3-carboxamide
CID 126617635
6-cyclopropyl-N-[3-fluoro-4-[(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1,2-dimethyl-4-oxoquinoline-3-carboxamide
CID 126617652
N-[3-fluoro-4-[(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxamide
CID 126618297
(4-((cis-4-aminocyclohexyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)(2-chloro-4-phenoxyphenyl)methanone
CID 134283148

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone?
The IUPAC name of (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone (CID 155366939) is (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone.
What is the SMILES notation for (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone?
The canonical SMILES for (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone is Nc1ccnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3C3CC3)c12.
What is the InChIKey of (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone?
The InChIKey is QHGPIXHPUYXOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-18-3-1-2-4-20(18)29-14-7-8-15(16(11-14)13-5-6-13)22(28)17-12-27-23-21(17)19(25)9-10-26-23/h1-4,7-13H,5-6H2,(H3,25,26,27).
What are the key properties of (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone?
(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone has a molecular weight of 387.41 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone is sourced from PubChem (CID 155366939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).