N-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide

C23H20FN5O3 — CID 45197322

IUPACN-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cnn(CC(=O)NC(c2ccncc2)c2ccc(F)cc2)c1
InChIInChI=1S/C23H20FN5O3/c1-15-20(8-11-32-15)23(31)27-19-12-26-29(13-19)14-21(30)28-22(17-6-9-25-10-7-17)16-2-4-18(24)5-3-16/h2-13,22H,14H2,1H3,(H,27,31)(H,28,30)
InChIKeyLTLSMNSGTVKGSH-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.48
Rot. Bonds7

About N-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide

N-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide (PubChem CID 45197322) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide
PubChem CID45197322
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC NameN-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cnn(CC(=O)NC(c2ccncc2)c2ccc(F)cc2)c1
InChIInChI=1S/C23H20FN5O3/c1-15-20(8-11-32-15)23(31)27-19-12-26-29(13-19)14-21(30)28-22(17-6-9-25-10-7-17)16-2-4-18(24)5-3-16/h2-13,22H,14H2,1H3,(H,27,31)(H,28,30)
InChIKeyLTLSMNSGTVKGSH-UHFFFAOYSA-N
XLogP3.48
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide (CID 45197322) is N-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cnn(CC(=O)NC(c2ccncc2)c2ccc(F)cc2)c1.
What is the InChIKey of N-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide?
The InChIKey is LTLSMNSGTVKGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-15-20(8-11-32-15)23(31)27-19-12-26-29(13-19)14-21(30)28-22(17-6-9-25-10-7-17)16-2-4-18(24)5-3-16/h2-13,22H,14H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide?
N-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 45197322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).