N-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

C18H18FN3O3 — CID 10172191

IUPACN-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]c3ccc(OC(C)C)nc23)cc1F
InChIInChI=1S/C18H18FN3O3/c1-10(2)25-16-7-5-14-17(22-16)12(9-20-14)18(23)21-11-4-6-15(24-3)13(19)8-11/h4-10,20H,1-3H3,(H,21,23)
InChIKeyAGIKECHMDXYIQE-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.75
Rot. Bonds5

About N-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

N-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 10172191) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID10172191
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]c3ccc(OC(C)C)nc23)cc1F
InChIInChI=1S/C18H18FN3O3/c1-10(2)25-16-7-5-14-17(22-16)12(9-20-14)18(23)21-11-4-6-15(24-3)13(19)8-11/h4-10,20H,1-3H3,(H,21,23)
InChIKeyAGIKECHMDXYIQE-UHFFFAOYSA-N
XLogP3.75
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 10172191) is N-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is COc1ccc(NC(=O)c2c[nH]c3ccc(OC(C)C)nc23)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is AGIKECHMDXYIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-10(2)25-16-7-5-14-17(22-16)12(9-20-14)18(23)21-11-4-6-15(24-3)13(19)8-11/h4-10,20H,1-3H3,(H,21,23).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-5-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 10172191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).