N-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide

C18H18FN5O — CID 139002555

IUPACN-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C1CCCC1)c1ccc2n[nH]nc2n1
InChIInChI=1S/C18H18FN5O/c19-13-7-5-12(6-8-13)16(11-3-1-2-4-11)21-18(25)15-10-9-14-17(20-15)23-24-22-14/h5-11,16H,1-4H2,(H,21,25)(H,20,22,23,24)
InChIKeyLOFIUWSRLRTICM-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.15
Rot. Bonds4

About N-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide

N-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide (PubChem CID 139002555) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide
PubChem CID139002555
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C1CCCC1)c1ccc2n[nH]nc2n1
InChIInChI=1S/C18H18FN5O/c19-13-7-5-12(6-8-13)16(11-3-1-2-4-11)21-18(25)15-10-9-14-17(20-15)23-24-22-14/h5-11,16H,1-4H2,(H,21,25)(H,20,22,23,24)
InChIKeyLOFIUWSRLRTICM-UHFFFAOYSA-N
XLogP3.15
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride
CID 119295925
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]furan-2-carboxamide
CID 51951454
1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea
CID 112840360
1-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 95977808
N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide
CID 41198922
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide
CID 51951449
3-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-methyl-1-[2-(1,2,4-triazol-4-yl)ethyl]urea
CID 97223637
4-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]butanamide
CID 119318592
3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide
CID 60573918
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(4-fluorophenyl)methyl]acetamide
CID 119735363
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119735348
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 112733298

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of N-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide (CID 139002555) is N-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for N-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide is O=C(NC(c1ccc(F)cc1)C1CCCC1)c1ccc2n[nH]nc2n1.
What is the InChIKey of N-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide?
The InChIKey is LOFIUWSRLRTICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-13-7-5-12(6-8-13)16(11-3-1-2-4-11)21-18(25)15-10-9-14-17(20-15)23-24-22-14/h5-11,16H,1-4H2,(H,21,25)(H,20,22,23,24).
What are the key properties of N-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide?
N-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(4-fluorophenyl)methyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 139002555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).