N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide

C21H22FN3O2 — CID 90466565

IUPACN-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1Cn1cc(C(=O)NCC2CC2)c2nccc(C)c21
InChIInChI=1S/C21H22FN3O2/c1-13-7-8-23-19-17(21(26)24-10-14-3-4-14)12-25(20(13)19)11-15-9-16(22)5-6-18(15)27-2/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,24,26)
InChIKeyIZQKIVDAMWYJOP-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.68
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide

N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 90466565) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID90466565
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1Cn1cc(C(=O)NCC2CC2)c2nccc(C)c21
InChIInChI=1S/C21H22FN3O2/c1-13-7-8-23-19-17(21(26)24-10-14-3-4-14)12-25(20(13)19)11-15-9-16(22)5-6-18(15)27-2/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,24,26)
InChIKeyIZQKIVDAMWYJOP-UHFFFAOYSA-N
XLogP3.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide (CID 90466565) is N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide is COc1ccc(F)cc1Cn1cc(C(=O)NCC2CC2)c2nccc(C)c21.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is IZQKIVDAMWYJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-13-7-8-23-19-17(21(26)24-10-14-3-4-14)12-25(20(13)19)11-15-9-16(22)5-6-18(15)27-2/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,24,26).
What are the key properties of N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 90466565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).