[5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone

C23H19F2N3O4 — CID 175849226

IUPAC[5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(F)c(C(=O)c2cc3cc(Nc4cccc(N)c4C)ncc3o2)c1F
InChIInChI=1S/C23H19F2N3O4/c1-11-13(26)5-4-6-14(11)28-19-8-12-7-17(32-18(12)10-27-19)23(29)20-21(24)15(30-2)9-16(31-3)22(20)25/h4-10H,26H2,1-3H3,(H,27,28)
InChIKeyQWFGHHJAKKFPET-UHFFFAOYSA-N
MW439.42 g/mol
LogP4.99
Rot. Bonds6

About [5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone

[5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone (PubChem CID 175849226) has the molecular formula C23H19F2N3O4 and a molecular weight of 439.42 g/mol. Its IUPAC name is [5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone
PubChem CID175849226
Molecular FormulaC23H19F2N3O4
Molecular Weight439.42 g/mol
Exact Mass439.13
IUPAC Name[5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(F)c(C(=O)c2cc3cc(Nc4cccc(N)c4C)ncc3o2)c1F
InChIInChI=1S/C23H19F2N3O4/c1-11-13(26)5-4-6-14(11)28-19-8-12-7-17(32-18(12)10-27-19)23(29)20-21(24)15(30-2)9-16(31-3)22(20)25/h4-10H,26H2,1-3H3,(H,27,28)
InChIKeyQWFGHHJAKKFPET-UHFFFAOYSA-N
XLogP4.99
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]-3-methylphenyl]prop-2-enamide
CID 151893556
N-[2-[[3-amino-2-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[2,3-c]pyridin-5-yl]amino]-3-methylphenyl]prop-2-enamide
CID 148640236
[2-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[2,3-c]pyridin-5-yl] N-(1-methyl-4-nitropyrazol-3-yl)carbamate
CID 155046122
N-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[2-methyl-6-(prop-2-enoylamino)anilino]-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide
CID 155058518
[5-[2-amino-4-(4-ethylpiperazin-1-yl)anilino]-3-[(3,4,5-trimethoxyphenyl)methoxy]furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone
CID 151039108
2-N-(2-methoxyphenyl)-5-methylpyridine-2,4-diamine
CID 83265211
2-N-(2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020929
N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-(methoxymethyl)-3-methylphenyl]prop-2-enamide
CID 154928092
2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide
CID 175849231
[5-[2-amino-4-(4-ethylpiperazin-1-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-3-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone
CID 150707814
3-N-(3-chloro-2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 55147951
(Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide
CID 154927879

Frequently Asked Questions

What is the IUPAC name of [5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone?
The IUPAC name of [5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone (CID 175849226) is [5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for [5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone?
The canonical SMILES for [5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone is COc1cc(OC)c(F)c(C(=O)c2cc3cc(Nc4cccc(N)c4C)ncc3o2)c1F.
What is the InChIKey of [5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone?
The InChIKey is QWFGHHJAKKFPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O4/c1-11-13(26)5-4-6-14(11)28-19-8-12-7-17(32-18(12)10-27-19)23(29)20-21(24)15(30-2)9-16(31-3)22(20)25/h4-10H,26H2,1-3H3,(H,27,28).
What are the key properties of [5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone?
[5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone has a molecular weight of 439.42 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 175849226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).