2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid

C25H21FN4O3 — CID 90420620

IUPAC2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(c4ncccc4C(=O)O)CC3)cc12
InChIInChI=1S/C25H21FN4O3/c1-33-22-5-4-16(26)13-19(22)17-6-10-27-23-20(17)14-21(29-23)15-7-11-30(12-8-15)24-18(25(31)32)3-2-9-28-24/h2-7,9-10,13-14H,8,11-12H2,1H3,(H,27,29)(H,31,32)
InChIKeyGANIGPYDAWLMIQ-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.76
Rot. Bonds5

About 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid

2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid (PubChem CID 90420620) has the molecular formula C25H21FN4O3 and a molecular weight of 444.47 g/mol. Its IUPAC name is 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid
PubChem CID90420620
Molecular FormulaC25H21FN4O3
Molecular Weight444.47 g/mol
Exact Mass444.16
IUPAC Name2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(c4ncccc4C(=O)O)CC3)cc12
InChIInChI=1S/C25H21FN4O3/c1-33-22-5-4-16(26)13-19(22)17-6-10-27-23-20(17)14-21(29-23)15-7-11-30(12-8-15)24-18(25(31)32)3-2-9-28-24/h2-7,9-10,13-14H,8,11-12H2,1H3,(H,27,29)(H,31,32)
InChIKeyGANIGPYDAWLMIQ-UHFFFAOYSA-N
XLogP4.76
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-(3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 16750094
Rwj-68354
CID 9819053
trans-4-[4-[4-(5-Fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinyl]cyclohexaneacetic acid
CID 90411536
CID 139035060
CID 139035060
2-Amino-5-[3-(2-methoxy-phenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethyl-benzamide
CID 16739128
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
2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenylamino)-N-o-tolylnicotinamide
CID 16223116
2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenylamino)-N-(2-(2-hydroxyethyl)phenyl)nicotinamide
CID 16223221
2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenylamino)-N-(4-fluorophenyl)-N-methylnicotinamide
CID 16223313
2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)-6-methylnicotinamide
CID 16223315
4-[2-[3-(diethylaminomethyl)-2-methoxyphenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-propan-2-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 44528326

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid (CID 90420620) is 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(c4ncccc4C(=O)O)CC3)cc12.
What is the InChIKey of 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is GANIGPYDAWLMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3/c1-33-22-5-4-16(26)13-19(22)17-6-10-27-23-20(17)14-21(29-23)15-7-11-30(12-8-15)24-18(25(31)32)3-2-9-28-24/h2-7,9-10,13-14H,8,11-12H2,1H3,(H,27,29)(H,31,32).
What are the key properties of 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid?
2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 444.47 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 90420620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).