2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide

C11H14FN3O — CID 166417486

IUPAC2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide
SMILESC=C(F)C(=O)NCc1cc2n(n1)CCCC2
InChIInChI=1S/C11H14FN3O/c1-8(12)11(16)13-7-9-6-10-4-2-3-5-15(10)14-9/h6H,1-5,7H2,(H,13,16)
InChIKeyUKUMHJAVSNBVNI-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.32
Rot. Bonds3

About 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide

2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 166417486) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide
PubChem CID166417486
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide
SMILESC=C(F)C(=O)NCc1cc2n(n1)CCCC2
InChIInChI=1S/C11H14FN3O/c1-8(12)11(16)13-7-9-6-10-4-2-3-5-15(10)14-9/h6H,1-5,7H2,(H,13,16)
InChIKeyUKUMHJAVSNBVNI-UHFFFAOYSA-N
XLogP1.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-Cyclohexyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyridine-2-carboxamide
CID 53014510
(4H,5H,6H,7H-pyrazolo(1,5-a)pyridin-2-yl)methanamine dihydrochloride
CID 122156683
N-Propyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyridine-2-carboxamide
CID 53014492
N-(butan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014506
N-Cyclopentyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyridine-2-carboxamide
CID 53014511
N-(Prop-2-EN-1-YL)-4H,5H,6H,7H-pyrazolo[1,5-A]pyridine-2-carboxamide
CID 53015596
N~1~,N~3~-dimethyl-N~3~-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-beta-alaninamide
CID 56905985
{4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-2-yl}methanamine
CID 53397595
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide
CID 67477588
2-(Azidomethyl)-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 162349449
1-(2,6-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
CID 169134154
1-(2-butan-2-yl-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
CID 169134733

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide (CID 166417486) is 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide is C=C(F)C(=O)NCc1cc2n(n1)CCCC2.
What is the InChIKey of 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is UKUMHJAVSNBVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-8(12)11(16)13-7-9-6-10-4-2-3-5-15(10)14-9/h6H,1-5,7H2,(H,13,16).
What are the key properties of 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide?
2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 223.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 166417486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).