[3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol

C20H24FN3O2 — CID 70677538

IUPAC[3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol
SMILESCCCCCNc1oc2c(C)ncc(CO)c2c1Nc1cccc(F)c1
InChIInChI=1S/C20H24FN3O2/c1-3-4-5-9-22-20-18(24-16-8-6-7-15(21)10-16)17-14(12-25)11-23-13(2)19(17)26-20/h6-8,10-11,22,24-25H,3-5,9,12H2,1-2H3
InChIKeyPHOWHZLLEIRPRJ-UHFFFAOYSA-N
MW357.43 g/mol
LogP5.11
Rot. Bonds8

About [3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol

[3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol (PubChem CID 70677538) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is [3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol.

Molecular Properties

Compound Name[3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol
PubChem CID70677538
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name[3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol
SMILESCCCCCNc1oc2c(C)ncc(CO)c2c1Nc1cccc(F)c1
InChIInChI=1S/C20H24FN3O2/c1-3-4-5-9-22-20-18(24-16-8-6-7-15(21)10-16)17-14(12-25)11-23-13(2)19(17)26-20/h6-8,10-11,22,24-25H,3-5,9,12H2,1-2H3
InChIKeyPHOWHZLLEIRPRJ-UHFFFAOYSA-N
XLogP5.11
TPSA70.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

example 184 [WO2014186035]
CID 86280679
[7-Methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol
CID 70677539
7-Fluoro-N3-(4-fluoro-3-(trifluoro-methyl)phenyl) furo[2,3-c] pyridine-2,3-diamine
CID 86580672
4-(2-Amino-3-((3-chloro-4-fluorophenyl) amino)furo[2,3-c]pyridin-7-yl)-N-propyl-picolinamide
CID 86580678
N3-(4-Fluorophenyl) furo[2,3-c]pyridine-2,3-diamine
CID 86581715
N3-(4-(Trifluoro-methyl)phenyl) furo[2,3-c] pyridine-2,3-diamine
CID 86581716
N3-(4-Fluoro-3-methylphenyl) furo[2,3-c] pyridine-2,3-diamine
CID 86582012
N3-(3-Isopropyl-phenyl)furo [2,3-c] pyridine-2,3-diamine
CID 86582160
N3-(3-Fluorophenyl) furo[2,3-c] pyridine-2,3-diamine
CID 86582162
N3-(4-Fluoro-3-(trifluoro-methoxy) phenyl)furo [2,3-c]pyridine-2,3-diamine
CID 86582168
N3-(3-chloro-4-fluoro-phenyl)-7-methyl-furo[2,3-c]pyridine-2,3-diamine
CID 86582318
N3-(4-Fluoro-3-(trifluoro-methyl)phenyl)-7-propylfuro [2,3-c]pyridine-2,3-diamine
CID 86582320

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol?
The IUPAC name of [3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol (CID 70677538) is [3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol.
What is the SMILES notation for [3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol?
The canonical SMILES for [3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol is CCCCCNc1oc2c(C)ncc(CO)c2c1Nc1cccc(F)c1.
What is the InChIKey of [3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol?
The InChIKey is PHOWHZLLEIRPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-3-4-5-9-22-20-18(24-16-8-6-7-15(21)10-16)17-14(12-25)11-23-13(2)19(17)26-20/h6-8,10-11,22,24-25H,3-5,9,12H2,1-2H3.
What are the key properties of [3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol?
[3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol has a molecular weight of 357.43 g/mol, XLogP of 5.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol is sourced from PubChem (CID 70677538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).