5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C19H17FN4O3 — CID 46115277

IUPAC5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1n[nH]c2c1CN(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C19H17FN4O3/c20-13-5-3-12(4-6-13)19(26)24-8-7-16-15(11-24)17(23-22-16)18(25)21-10-14-2-1-9-27-14/h1-6,9H,7-8,10-11H2,(H,21,25)(H,22,23)
InChIKeyKBYSDICHQNRZOK-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.27
Rot. Bonds4

About 5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 46115277) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID46115277
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1n[nH]c2c1CN(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C19H17FN4O3/c20-13-5-3-12(4-6-13)19(26)24-8-7-16-15(11-24)17(23-22-16)18(25)21-10-14-2-1-9-27-14/h1-6,9H,7-8,10-11H2,(H,21,25)(H,22,23)
InChIKeyKBYSDICHQNRZOK-UHFFFAOYSA-N
XLogP2.27
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 46115277) is 5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1ccco1)c1n[nH]c2c1CN(C(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of 5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is KBYSDICHQNRZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c20-13-5-3-12(4-6-13)19(26)24-8-7-16-15(11-24)17(23-22-16)18(25)21-10-14-2-1-9-27-14/h1-6,9H,7-8,10-11H2,(H,21,25)(H,22,23).
What are the key properties of 5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 46115277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).