N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide

C24H29FN4O2 — CID 53194112

IUPACN-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)c1c(C)oc2c1CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C24H29FN4O2/c1-4-28(14-19-12-26-29(5-2)15-19)24(30)23-17(3)31-22-10-11-27(16-21(22)23)13-18-6-8-20(25)9-7-18/h6-9,12,15H,4-5,10-11,13-14,16H2,1-3H3
InChIKeyDCZQLLNTDBOACK-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.16
Rot. Bonds7

About N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide

N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (PubChem CID 53194112) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
PubChem CID53194112
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC NameN-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)c1c(C)oc2c1CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C24H29FN4O2/c1-4-28(14-19-12-26-29(5-2)15-19)24(30)23-17(3)31-22-10-11-27(16-21(22)23)13-18-6-8-20(25)9-7-18/h6-9,12,15H,4-5,10-11,13-14,16H2,1-3H3
InChIKeyDCZQLLNTDBOACK-UHFFFAOYSA-N
XLogP4.16
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (CID 53194112) is N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is CCN(Cc1cnn(CC)c1)C(=O)c1c(C)oc2c1CN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The InChIKey is DCZQLLNTDBOACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-4-28(14-19-12-26-29(5-2)15-19)24(30)23-17(3)31-22-10-11-27(16-21(22)23)13-18-6-8-20(25)9-7-18/h6-9,12,15H,4-5,10-11,13-14,16H2,1-3H3.
What are the key properties of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 53194112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).