N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine

C22H19N3O3 — CID 71447602

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCOc1cccc(-c2cc3c(Nc4ccc5c(c4)OCCO5)nccc3[nH]2)c1
InChIInChI=1S/C22H19N3O3/c1-26-16-4-2-3-14(11-16)19-13-17-18(25-19)7-8-23-22(17)24-15-5-6-20-21(12-15)28-10-9-27-20/h2-8,11-13,25H,9-10H2,1H3,(H,23,24)
InChIKeyRMNPTXHFXCZUPO-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.75
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 71447602) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
PubChem CID71447602
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCOc1cccc(-c2cc3c(Nc4ccc5c(c4)OCCO5)nccc3[nH]2)c1
InChIInChI=1S/C22H19N3O3/c1-26-16-4-2-3-14(11-16)19-13-17-18(25-19)7-8-23-22(17)24-15-5-6-20-21(12-15)28-10-9-27-20/h2-8,11-13,25H,9-10H2,1H3,(H,23,24)
InChIKeyRMNPTXHFXCZUPO-UHFFFAOYSA-N
XLogP4.75
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 71448856
N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 71728538
2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 155554853
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 71729772
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904653
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 53299062
N-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 144764894
ethane;6-(3-methoxyphenyl)-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 143080945
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895328
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine
CID 110434461
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930640
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 18770778

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine (CID 71447602) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine is COc1cccc(-c2cc3c(Nc4ccc5c(c4)OCCO5)nccc3[nH]2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is RMNPTXHFXCZUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-26-16-4-2-3-14(11-16)19-13-17-18(25-19)7-8-23-22(17)24-15-5-6-20-21(12-15)28-10-9-27-20/h2-8,11-13,25H,9-10H2,1H3,(H,23,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 373.41 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 71447602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).