N-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

C20H20FN3O2 — CID 72792837

IUPACN-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1cccc(F)c1Cn1cc(C(=O)NCC2CC2)c2ncccc21
InChIInChI=1S/C20H20FN3O2/c1-26-18-6-2-4-16(21)14(18)11-24-12-15(19-17(24)5-3-9-22-19)20(25)23-10-13-7-8-13/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,23,25)
InChIKeyPUQADZNQSGFEON-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.37
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

N-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 72792837) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID72792837
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1cccc(F)c1Cn1cc(C(=O)NCC2CC2)c2ncccc21
InChIInChI=1S/C20H20FN3O2/c1-26-18-6-2-4-16(21)14(18)11-24-12-15(19-17(24)5-3-9-22-19)20(25)23-10-13-7-8-13/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,23,25)
InChIKeyPUQADZNQSGFEON-UHFFFAOYSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 72792837) is N-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is COc1cccc(F)c1Cn1cc(C(=O)NCC2CC2)c2ncccc21.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is PUQADZNQSGFEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-26-18-6-2-4-16(21)14(18)11-24-12-15(19-17(24)5-3-9-22-19)20(25)23-10-13-7-8-13/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,23,25).
What are the key properties of N-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
N-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 72792837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).