N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine

C17H18IN3 — CID 103127281

IUPACN-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1cnn2ccccc12
InChIInChI=1S/C17H18IN3/c1-2-19-16(11-13-6-8-14(18)9-7-13)15-12-20-21-10-4-3-5-17(15)21/h3-10,12,16,19H,2,11H2,1H3
InChIKeyFKQIAWLQTHRFOB-UHFFFAOYSA-N
MW391.26 g/mol
LogP3.83
Rot. Bonds5

About N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine

N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine (PubChem CID 103127281) has the molecular formula C17H18IN3 and a molecular weight of 391.26 g/mol. Its IUPAC name is N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
PubChem CID103127281
Molecular FormulaC17H18IN3
Molecular Weight391.26 g/mol
Exact Mass391.05
IUPAC NameN-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1cnn2ccccc12
InChIInChI=1S/C17H18IN3/c1-2-19-16(11-13-6-8-14(18)9-7-13)15-12-20-21-10-4-3-5-17(15)21/h3-10,12,16,19H,2,11H2,1H3
InChIKeyFKQIAWLQTHRFOB-UHFFFAOYSA-N
XLogP3.83
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103126126
N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine
CID 103126360
N-methyl-2-(4-methylphenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103126107
2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103128127
N-ethyl-2-(1-methyltriazol-4-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 107064291
2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126121
N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylpropan-1-amine
CID 103125767
1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115533968
1-pyrazolo[1,5-a]pyridin-3-ylbutylhydrazine
CID 103129377
N-[(2-fluorophenyl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]ethanamine
CID 103126487
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
2-(4-propan-2-ylphenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103126751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine?
The IUPAC name of N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine (CID 103127281) is N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine.
What is the SMILES notation for N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine?
The canonical SMILES for N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine is CCNC(Cc1ccc(I)cc1)c1cnn2ccccc12.
What is the InChIKey of N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine?
The InChIKey is FKQIAWLQTHRFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18IN3/c1-2-19-16(11-13-6-8-14(18)9-7-13)15-12-20-21-10-4-3-5-17(15)21/h3-10,12,16,19H,2,11H2,1H3.
What are the key properties of N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine?
N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine has a molecular weight of 391.26 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine is sourced from PubChem (CID 103127281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).