3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C18H22FN5O2 — CID 167877177

IUPAC3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCCc1nnc2c(C(=O)NC[C@H](C)NC(=O)C34CC(F)(C3)C4)cccn12
InChIInChI=1S/C18H22FN5O2/c1-3-13-22-23-14-12(5-4-6-24(13)14)15(25)20-7-11(2)21-16(26)17-8-18(19,9-17)10-17/h4-6,11H,3,7-10H2,1-2H3,(H,20,25)(H,21,26)/t11-,17?,18?/m0/s1
InChIKeyVACMMBCWNIBIFQ-NVWNAPEYSA-N
MW359.41 g/mol
LogP1.42
Rot. Bonds6

About 3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 167877177) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID167877177
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCCc1nnc2c(C(=O)NC[C@H](C)NC(=O)C34CC(F)(C3)C4)cccn12
InChIInChI=1S/C18H22FN5O2/c1-3-13-22-23-14-12(5-4-6-24(13)14)15(25)20-7-11(2)21-16(26)17-8-18(19,9-17)10-17/h4-6,11H,3,7-10H2,1-2H3,(H,20,25)(H,21,26)/t11-,17?,18?/m0/s1
InChIKeyVACMMBCWNIBIFQ-NVWNAPEYSA-N
XLogP1.42
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide with MolForge

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Related Compounds

2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid
CID 83888641
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid
CID 84614425
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83877169
3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367491
N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 84614507
3-ethyl-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674606
2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-1-amine
CID 83882085
N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 50812845
8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117257397
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147696
N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluorobenzamide
CID 91893121
3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147796

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 167877177) is 3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is CCc1nnc2c(C(=O)NC[C@H](C)NC(=O)C34CC(F)(C3)C4)cccn12.
What is the InChIKey of 3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is VACMMBCWNIBIFQ-NVWNAPEYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-3-13-22-23-14-12(5-4-6-24(13)14)15(25)20-7-11(2)21-16(26)17-8-18(19,9-17)10-17/h4-6,11H,3,7-10H2,1-2H3,(H,20,25)(H,21,26)/t11-,17?,18?/m0/s1.
What are the key properties of 3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 167877177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).