[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol

C19H18FN3O2 — CID 90419518

IUPAC[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@H](CO)NC3)cc12
InChIInChI=1S/C19H18FN3O2/c1-25-18-3-2-12(20)7-15(18)14-4-5-21-19-16(14)8-17(23-19)11-6-13(10-24)22-9-11/h2-8,13,22,24H,9-10H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyRANYXLZNYZCFAZ-CYBMUJFWSA-N
MW339.37 g/mol
LogP2.73
Rot. Bonds4

About [(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol

[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol (PubChem CID 90419518) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is [(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol
PubChem CID90419518
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@H](CO)NC3)cc12
InChIInChI=1S/C19H18FN3O2/c1-25-18-3-2-12(20)7-15(18)14-4-5-21-19-16(14)8-17(23-19)11-6-13(10-24)22-9-11/h2-8,13,22,24H,9-10H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyRANYXLZNYZCFAZ-CYBMUJFWSA-N
XLogP2.73
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-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

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol?
The IUPAC name of [(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol (CID 90419518) is [(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol.
What is the SMILES notation for [(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol?
The canonical SMILES for [(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@H](CO)NC3)cc12.
What is the InChIKey of [(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol?
The InChIKey is RANYXLZNYZCFAZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-25-18-3-2-12(20)7-15(18)14-4-5-21-19-16(14)8-17(23-19)11-6-13(10-24)22-9-11/h2-8,13,22,24H,9-10H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of [(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol?
[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol has a molecular weight of 339.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanol is sourced from PubChem (CID 90419518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).