3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride

C22H23Cl2FN6O — CID 10227489

IUPAC3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride
SMILESCl.Nc1ncc(-c2ccc(F)c(Cl)c2)nc1C(=O)Nc1cnccc1CCN1CCCC1
InChIInChI=1S/C22H22ClFN6O.ClH/c23-16-11-15(3-4-17(16)24)19-13-27-21(25)20(28-19)22(31)29-18-12-26-7-5-14(18)6-10-30-8-1-2-9-30;/h3-5,7,11-13H,1-2,6,8-10H2,(H2,25,27)(H,29,31);1H
InChIKeyOWDXLBBBSRBCAW-UHFFFAOYSA-N
MW477.37 g/mol
LogP4.23
Rot. Bonds6

About 3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride

3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride (PubChem CID 10227489) has the molecular formula C22H23Cl2FN6O and a molecular weight of 477.37 g/mol. Its IUPAC name is 3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride
PubChem CID10227489
Molecular FormulaC22H23Cl2FN6O
Molecular Weight477.37 g/mol
Exact Mass476.13
IUPAC Name3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride
SMILESCl.Nc1ncc(-c2ccc(F)c(Cl)c2)nc1C(=O)Nc1cnccc1CCN1CCCC1
InChIInChI=1S/C22H22ClFN6O.ClH/c23-16-11-15(3-4-17(16)24)19-13-27-21(25)20(28-19)22(31)29-18-12-26-7-5-14(18)6-10-30-8-1-2-9-30;/h3-5,7,11-13H,1-2,6,8-10H2,(H2,25,27)(H,29,31);1H
InChIKeyOWDXLBBBSRBCAW-UHFFFAOYSA-N
XLogP4.23
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride (CID 10227489) is 3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride is Cl.Nc1ncc(-c2ccc(F)c(Cl)c2)nc1C(=O)Nc1cnccc1CCN1CCCC1.
What is the InChIKey of 3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride?
The InChIKey is OWDXLBBBSRBCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN6O.ClH/c23-16-11-15(3-4-17(16)24)19-13-27-21(25)20(28-19)22(31)29-18-12-26-7-5-14(18)6-10-30-8-1-2-9-30;/h3-5,7,11-13H,1-2,6,8-10H2,(H2,25,27)(H,29,31);1H.
What are the key properties of 3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride?
3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride has a molecular weight of 477.37 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 10227489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).