N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide

C21H25FN4O2 — CID 52986679

IUPACN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(OC2CCCC2)nc1)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C21H25FN4O2/c22-16-8-6-15(7-9-16)18-11-19(26-25-18)21(27)24-13-14-5-10-20(23-12-14)28-17-3-1-2-4-17/h5-10,12,17-19,25-26H,1-4,11,13H2,(H,24,27)
InChIKeyKCNQPNPWKWRCAD-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.77
Rot. Bonds6

About N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide

N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide (PubChem CID 52986679) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
PubChem CID52986679
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(OC2CCCC2)nc1)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C21H25FN4O2/c22-16-8-6-15(7-9-16)18-11-19(26-25-18)21(27)24-13-14-5-10-20(23-12-14)28-17-3-1-2-4-17/h5-10,12,17-19,25-26H,1-4,11,13H2,(H,24,27)
InChIKeyKCNQPNPWKWRCAD-UHFFFAOYSA-N
XLogP2.77
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide (CID 52986679) is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide is O=C(NCc1ccc(OC2CCCC2)nc1)C1CC(c2ccc(F)cc2)NN1.
What is the InChIKey of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide?
The InChIKey is KCNQPNPWKWRCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-16-8-6-15(7-9-16)18-11-19(26-25-18)21(27)24-13-14-5-10-20(23-12-14)28-17-3-1-2-4-17/h5-10,12,17-19,25-26H,1-4,11,13H2,(H,24,27).
What are the key properties of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide?
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 52986679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).