6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide

C20H21Cl2FN4O3 — CID 76618468

IUPAC6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide
SMILESCC(Oc1c(N)ncc2c(C(=O)NCCN(C)C)coc12)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C20H21Cl2FN4O3/c1-10(15-13(21)4-5-14(23)16(15)22)30-18-17-11(8-26-19(18)24)12(9-29-17)20(28)25-6-7-27(2)3/h4-5,8-10H,6-7H2,1-3H3,(H2,24,26)(H,25,28)
InChIKeyYSJWVIKLNFWDLV-UHFFFAOYSA-N
MW455.32 g/mol
LogP4.29
Rot. Bonds7

About 6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide

6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide (PubChem CID 76618468) has the molecular formula C20H21Cl2FN4O3 and a molecular weight of 455.32 g/mol. Its IUPAC name is 6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide
PubChem CID76618468
Molecular FormulaC20H21Cl2FN4O3
Molecular Weight455.32 g/mol
Exact Mass454.10
IUPAC Name6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide
SMILESCC(Oc1c(N)ncc2c(C(=O)NCCN(C)C)coc12)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C20H21Cl2FN4O3/c1-10(15-13(21)4-5-14(23)16(15)22)30-18-17-11(8-26-19(18)24)12(9-29-17)20(28)25-6-7-27(2)3/h4-5,8-10H,6-7H2,1-3H3,(H2,24,26)(H,25,28)
InChIKeyYSJWVIKLNFWDLV-UHFFFAOYSA-N
XLogP4.29
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.32
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[6-amino-7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]furo[3,2-c]pyridin-3-yl]-4-carbamoylphenyl]-2-(dimethylamino)ethanesulfonic acid
CID 87387000
7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine
CID 76618458
5-[6-amino-7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]furo[3,2-c]pyridin-3-yl]thiophene-3-carbaldehyde
CID 88904847
1-[4-[6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]furo[3,2-c]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 76618319
[5-[6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]furo[3,2-c]pyridin-3-yl]thiophen-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 76618524
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-ethylbenzamide
CID 58885740
2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 158347604
[3-[6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]furo[3,2-c]pyridin-3-yl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 76618412
[4-[6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]furo[3,2-c]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone
CID 76618270
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-ethylpyridin-2-amine
CID 143190028
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide
CID 24959658
7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-6-amine
CID 76618376

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide (CID 76618468) is 6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide is CC(Oc1c(N)ncc2c(C(=O)NCCN(C)C)coc12)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide?
The InChIKey is YSJWVIKLNFWDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN4O3/c1-10(15-13(21)4-5-14(23)16(15)22)30-18-17-11(8-26-19(18)24)12(9-29-17)20(28)25-6-7-27(2)3/h4-5,8-10H,6-7H2,1-3H3,(H2,24,26)(H,25,28).
What are the key properties of 6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide?
6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 455.32 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 76618468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).