2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide

C21H18FN5O2 — CID 8002151

IUPAC2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2cccnc2Nc2ccccc2F)o1
InChIInChI=1S/C21H18FN5O2/c1-14-8-9-15(29-14)13-27-19(10-12-24-27)26-21(28)16-5-4-11-23-20(16)25-18-7-3-2-6-17(18)22/h2-12H,13H2,1H3,(H,23,25)(H,26,28)
InChIKeyPVPRCTOMIAKZOK-UHFFFAOYSA-N
MW391.41 g/mol
LogP4.36
Rot. Bonds6

About 2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide

2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 8002151) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID8002151
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2cccnc2Nc2ccccc2F)o1
InChIInChI=1S/C21H18FN5O2/c1-14-8-9-15(29-14)13-27-19(10-12-24-27)26-21(28)16-5-4-11-23-20(16)25-18-7-3-2-6-17(18)22/h2-12H,13H2,1H3,(H,23,25)(H,26,28)
InChIKeyPVPRCTOMIAKZOK-UHFFFAOYSA-N
XLogP4.36
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide (CID 8002151) is 2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide is Cc1ccc(Cn2nccc2NC(=O)c2cccnc2Nc2ccccc2F)o1.
What is the InChIKey of 2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is PVPRCTOMIAKZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-14-8-9-15(29-14)13-27-19(10-12-24-27)26-21(28)16-5-4-11-23-20(16)25-18-7-3-2-6-17(18)22/h2-12H,13H2,1H3,(H,23,25)(H,26,28).
What are the key properties of 2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 8002151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).